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

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]nicotinamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3O/c1-22(20(24)18-9-5-12-21-15-18)19-10-6-13-23(16-19)14-11-17-7-3-2-4-8-17/h2-5,7-9,12,15,19H,6,10-11,13-14,16H2,1H3/p+1/t19-/m0/s1