2-[2-azanyl-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone Openeye Name: 2-[2-amino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone CAS Name: 2-[2-amino-3-[2-(1-pyrrolidinyl)ethyl]-1-benzimidazol-1-iumyl]-1-(3,4-dichlorophenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone Traditional Name: 2-[2-amino-3-(2-pyrrolidinoethyl)benzimidazol-1-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone Formula: C21H23Cl2N4O+ MolecularWeight: 418.33952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O/c22-16-8-7-15(13-17(16)23)20(28)14-27-19-6-2-1-5-18(19)26(21(27)24)12-11-25-9-3-4-10-25/h1-2,5-8,13,24H,3-4,9-12,14H2/p+1