ethyl 4-[[1-(cyanomethyl)benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(cyanomethyl)benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(cyanomethyl)benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-(cyanomethyl)-1-benzimidazol-1-iumyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(cyanomethyl)benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(cyanomethyl)benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N[N+]2(C=NC3=CC=CC=C32)CC#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N[N+]2(C=NC3=CC=CC=C32)CC#N

InChI

InChI=1S/C17H22N5O2/c1-2-24-17(23)21-10-7-14(8-11-21)20-22(12-9-18)13-19-15-5-3-4-6-16(15)22/h3-6,13-14,20H,2,7-8,10-12H2,1H3/q+1