N-[1-[bis(2-chloroethyl)amino]-2-(1-methylpyrrol-2-yl)benzimidazol-1-ium-1-yl]benzamide

Systemtic Name: N-[1-[bis(2-chloroethyl)amino]-2-(1-methylpyrrol-2-yl)benzimidazol-1-ium-1-yl]benzamide Openeye Name: N-[1-[bis(2-chloroethyl)amino]-2-(1-methylpyrrol-2-yl)benzimidazol-1-ium-1-yl]benzamide CAS Name: N-[1-[bis(2-chloroethyl)amino]-2-(1-methyl-2-pyrrolyl)-1-benzimidazol-1-iumyl]benzamide IUPAC Name: N-[1-[bis(2-chloroethyl)amino]-2-(1-methylpyrrol-2-yl)benzimidazol-1-ium-1-yl]benzamide Traditional Name: N-[1-[bis(2-chloroethyl)amino]-2-(1-methylpyrrol-2-yl)benzimidazol-1-ium-1-yl]benzamide Formula: C23H24Cl2N5O+ MolecularWeight: 457.37556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NC3=CC=CC=C3[N+]2(NC(=O)C4=CC=CC=C4)N(CCCl)CCCl

Isomeric SMILES

CN1C=CC=C1C2=NC3=CC=CC=C3[N+]2(NC(=O)C4=CC=CC=C4)N(CCCl)CCCl

InChI

InChI=1S/C23H23Cl2N5O/c1-28-15-7-11-20(28)22-26-19-10-5-6-12-21(19)30(22,29(16-13-24)17-14-25)27-23(31)18-8-3-2-4-9-18/h2-12,15H,13-14,16-17H2,1H3/p+1