N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3S)-1-[(4-acetamidophenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3S)-1-(4-acetamidobenzyl)piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-16(26)24-20-8-6-17(7-9-20)14-25-11-3-4-18(15-25)12-23-21(27)19-5-2-10-22-13-19/h2,5-10,13,18H,3-4,11-12,14-15H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m0/s1