(2R)-2-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-4-oxidanylidene-4-piperidin-1-yl-butanoate

Systemtic Name: (2R)-2-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-4-oxidanylidene-4-piperidin-1-yl-butanoate Openeye Name: (2R)-2-(2,3-dimethyl-5-methylene-1H-pyrazol-2-ium-2-yl)-4-oxo-4-(1-piperidyl)butanoate CAS Name: (2R)-2-(2,3-dimethyl-5-methylene-1H-pyrazol-2-ium-2-yl)-4-oxo-4-(1-piperidinyl)butanoate IUPAC Name: (2R)-2-(2,3-dimethyl-5-methylidene-1H-pyrazol-2-ium-2-yl)-4-oxo-4-piperidin-1-ylbutanoate Traditional Name: (2R)-2-(1,5-dimethyl-3-methylene-3-pyrazolin-1-ium-1-yl)-4-keto-4-piperidino-butyrate Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C)N[N+]1(C)C(CC(=O)N2CCCCC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C)N[N+]1(C)[C@H](CC(=O)N2CCCCC2)C(=O)[O-]

InChI

InChI=1S/C15H23N3O3/c1-11-9-12(2)18(3,16-11)13(15(20)21)10-14(19)17-7-5-4-6-8-17/h9,13,16H,1,4-8,10H2,2-3H3/t13-,18?/m1/s1