aminocarbonyl-dimethyl-[3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propyl]azanium

Systemtic Name: aminocarbonyl-dimethyl-[3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propyl]azanium Openeye Name: carbamoyl-dimethyl-[3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propyl]ammonium CAS Name: carbamoyl-dimethyl-[3-[2-(1-methyl-4-nitro-2-pyrrolyl)-3H-benzimidazol-5-yl]propyl]ammonium IUPAC Name: carbamoyl-dimethyl-[3-[2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazol-5-yl]propyl]azanium Traditional Name: carbamoyl-dimethyl-[3-[2-(1-methyl-4-nitro-pyrrol-2-yl)-3H-benzimidazol-5-yl]propyl]ammonium Formula: C18H23N6O3+ MolecularWeight: 371.41362

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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)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C2=NC3=C(N2)C=C(C=C3)CCC[N+](C)(C)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-22-11-13(23(26)27)10-16(22)17-20-14-7-6-12(9-15(14)21-17)5-4-8-24(2,3)18(19)25/h6-7,9-11H,4-5,8H2,1-3H3,(H2-,19,20,21,25)/p+1