[(3S)-1-(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-(2,4-dimethyl-6-oxidanylidene-pyran-3-yl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-(2,4-dimethyl-6-oxo-pyran-3-carbonyl)-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(2,4-dimethyl-6-oxo-3-pyranyl)-oxomethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-(2,4-dimethyl-6-oxopyran-3-carbonyl)piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-(6-keto-2,4-dimethyl-pyran-3-carbonyl)-3-piperidyl]-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3/c1-15-12-19(24)26-16(2)20(15)21(25)23-11-7-10-18(14-23)22(3)13-17-8-5-4-6-9-17/h4-6,8-9,12,18H,7,10-11,13-14H2,1-3H3/p+1/t18-/m0/s1