1-(2-phenoxyethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1-(2-phenoxyethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-(2-phenoxyethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-2-amine CAS Name: 1-(2-phenoxyethyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazol-3-iumamine IUPAC Name: 1-(2-phenoxyethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-2-amine Traditional Name: [1-(2-phenoxyethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-3-ium-2-yl]amine Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N

Isomeric SMILES

C1CC[NH+](CC1)CC[N+]2=C(N(C3=CC=CC=C32)CCOC4=CC=CC=C4)N

InChI

InChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)20-11-5-6-12-21(20)26(22)17-18-27-19-9-3-1-4-10-19/h1,3-6,9-12,23H,2,7-8,13-18H2/p+2