N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O2/c1-29-23-11-6-5-10-22(23)27(15-7-14-25)24(28)19-26-16-12-21(13-17-26)18-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-13,15-19H2,1H3/p+1