N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[[3-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[3-(cyclopentoxy)benzyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CCCC(C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H31N3O2/c28-24(21-8-4-12-25-16-21)26-15-20-7-5-13-27(18-20)17-19-6-3-11-23(14-19)29-22-9-1-2-10-22/h3-4,6,8,11-12,14,16,20,22H,1-2,5,7,9-10,13,15,17-18H2,(H,26,28)/p+1/t20-/m1/s1