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

Systemtic Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Openeye Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide CAS Name: 6-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyridine-3-carboxamide Traditional Name: 6-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:

CC1=NC=C(C=C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

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