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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5,6-dimethyl-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-keto-5,6-dimethyl-1H-pyridine-3-carboxamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)C

Isomeric SMILES

CC1=C(NC(=O)C(=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)C

InChI

InChI=1S/C20H31N3O2/c1-14-12-18(19(24)21-15(14)2)20(25)22-16-8-7-11-23(13-16)17-9-5-3-4-6-10-17/h12,16-17H,3-11,13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t16-/m0/s1