ethyl 1-(1H-benzimidazol-2-ylamino)-4-(cyanomethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylamino)-4-(cyanomethyl)piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylamino)-4-(cyanomethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylamino)-4-(cyanomethyl)-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylamino)-4-(cyanomethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylamino)-4-(cyanomethyl)piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)CC#N)NC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)CC#N)NC2=NC3=CC=CC=C3N2

InChI

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