3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[(4-acetamidophenyl)methyl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(4-acetamidophenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-(4-acetamidobenzyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-18(28)26-22-7-4-20(5-8-22)17-27-13-10-19(11-14-27)6-9-23(29)25-16-21-3-2-12-24-15-21/h2-5,7-8,12,15,19H,6,9-11,13-14,16-17H2,1H3,(H,25,29)(H,26,28)/p+1