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

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]nicotinamide Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O/c1-23(21(25)19-11-5-13-22-16-19)20-12-7-15-24(17-20)14-6-10-18-8-3-2-4-9-18/h2-5,8-9,11,13,16,20H,6-7,10,12,14-15,17H2,1H3/p+1/t20-/m0/s1