aminocarbonyl-[3-[2-[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrol-2-yl]-3H-benzimidazol-5-yl]propyl]-dimethyl-azanium hydrochloride

Systemtic Name: aminocarbonyl-[3-[2-[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrol-2-yl]-3H-benzimidazol-5-yl]propyl]-dimethyl-azanium hydrochloride Openeye Name: 3-[2-[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrol-2-yl]-3H-benzimidazol-5-yl]propyl-carbamoyl-dimethyl-ammonium hydrochloride CAS Name: 3-[2-[4-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutyl]amino]-1-methyl-2-pyrrolyl]-3H-benzimidazol-5-yl]propyl-carbamoyl-dimethylammonium hydrochloride IUPAC Name: 3-[2-[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methylpyrrol-2-yl]-3H-benzimidazol-5-yl]propyl-carbamoyl-dimethylazanium hydrochloride Traditional Name: 3-[2-[4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-1-methyl-pyrrol-2-yl]-3H-benzimidazol-5-yl]propyl-carbamoyl-dimethyl-ammonium hydrochloride Formula: C32H43Cl3N7O2+ MolecularWeight: 664.08852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)CCC[N+](C)(C)C(=O)N)NC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl.Cl

Isomeric SMILES

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)CCC[N+](C)(C)C(=O)N)NC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl.Cl

InChI

InChI=1S/C32H41Cl2N7O2.ClH/c1-39-22-25(36-30(42)8-4-6-23-9-12-26(13-10-23)40(17-15-33)18-16-34)21-29(39)31-37-27-14-11-24(20-28(27)38-31)7-5-19-41(2,3)32(35)43;/h9-14,20-22H,4-8,15-19H2,1-3H3,(H3-,35,36,37,38,42,43);1H/p+1