N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-4,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]-4,6-dimethyl-1H-pyridine-3-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)C(=O)NC2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H27N3O3/c1-14-10-15(2)22-20(25)19(14)21(26)23-17-7-5-9-24(13-17)12-16-6-4-8-18(11-16)27-3/h4,6,8,10-11,17H,5,7,9,12-13H2,1-3H3,(H,22,25)(H,23,26)/p+1/t17-/m0/s1