1,3-diethyl-1-(phenylmethyl)-4-(pyrrolidin-3-yliminomethyl)benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-1-(phenylmethyl)-4-(pyrrolidin-3-yliminomethyl)benzimidazol-1-ium-2-one Openeye Name: 1-benzyl-1,3-diethyl-4-(pyrrolidin-3-yliminomethyl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-1-(phenylmethyl)-4-(3-pyrrolidinyliminomethyl)-2-benzimidazol-1-iumone IUPAC Name: 1-benzyl-1,3-diethyl-4-(pyrrolidin-3-yliminomethyl)benzimidazol-1-ium-2-one Traditional Name: 1-benzyl-1,3-diethyl-4-(pyrrolidin-3-yliminomethyl)benzimidazol-1-ium-2-one Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2[N+](C1=O)(CC)CC3=CC=CC=C3)C=NC4CCNC4

Isomeric SMILES

CCN1C2=C(C=CC=C2[N+](C1=O)(CC)CC3=CC=CC=C3)C=NC4CCNC4

InChI

InChI=1S/C23H29N4O/c1-3-26-22-19(15-25-20-13-14-24-16-20)11-8-12-21(22)27(4-2,23(26)28)17-18-9-6-5-7-10-18/h5-12,15,20,24H,3-4,13-14,16-17H2,1-2H3/q+1