1-[4-azanyl-1-[bis(2-chloroethyl)amino]-1,2-diphenyl-benzimidazol-1-ium-5-yl]butan-1-one

Systemtic Name: 1-[4-azanyl-1-[bis(2-chloroethyl)amino]-1,2-diphenyl-benzimidazol-1-ium-5-yl]butan-1-one Openeye Name: 1-[4-amino-1-[bis(2-chloroethyl)amino]-1,2-diphenyl-benzimidazol-1-ium-5-yl]butan-1-one CAS Name: 1-[4-amino-1-[bis(2-chloroethyl)amino]-1,2-diphenyl-5-benzimidazol-1-iumyl]-1-butanone IUPAC Name: 1-[4-amino-1-[bis(2-chloroethyl)amino]-1,2-diphenylbenzimidazol-1-ium-5-yl]butan-1-one Traditional Name: 1-[4-amino-1-[bis(2-chloroethyl)amino]-1,2-diphenyl-benzimidazol-1-ium-5-yl]butan-1-one Formula: C27H29Cl2N4O+ MolecularWeight: 496.45136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(C=C1)[N+](C(=N2)C3=CC=CC=C3)(C4=CC=CC=C4)N(CCCl)CCCl)N

Isomeric SMILES

CCCC(=O)C1=C(C2=C(C=C1)[N+](C(=N2)C3=CC=CC=C3)(C4=CC=CC=C4)N(CCCl)CCCl)N

InChI

InChI=1S/C27H28Cl2N4O/c1-2-9-24(34)22-14-15-23-26(25(22)30)31-27(20-10-5-3-6-11-20)33(23,21-12-7-4-8-13-21)32(18-16-28)19-17-29/h3-8,10-15H,2,9,16-19H2,1H3,(H-,30,34)/p+1