N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide

Systemtic Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: N,2-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: N,2-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]nicotinamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=N1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-20(11-6-13-22-17)21(25)23(2)19-10-7-14-24(16-19)15-12-18-8-4-3-5-9-18/h3-6,8-9,11,13,19H,7,10,12,14-16H2,1-2H3/p+1/t19-/m0/s1