5,6-dimethyl-2-oxidanylidene-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyridine-3-carboxamide

Systemtic Name: 5,6-dimethyl-2-oxidanylidene-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyridine-3-carboxamide Openeye Name: 5,6-dimethyl-2-oxo-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyridine-3-carboxamide CAS Name: 5,6-dimethyl-2-oxo-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-1H-pyridine-3-carboxamide IUPAC Name: 5,6-dimethyl-2-oxo-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-5,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1H-pyridine-3-carboxamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=C1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(NC(=O)C(=C1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2/c1-16-14-20(21(26)23-17(16)2)22(27)24-19-11-7-13-25(15-19)12-6-10-18-8-4-3-5-9-18/h3-5,8-9,14,19H,6-7,10-13,15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t19-/m0/s1