5,5-dimethyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-cyclohexen-1-olate Openeye Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-5,5-dimethyl-cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]-1-cyclohexenolate IUPAC Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-5,5-dimethylcyclohexen-1-olate Traditional Name: 3-(1-benzylpiperidin-1-ium-4-yl)imino-5,5-dimethyl-cyclohexen-1-olate Formula: C20H28N2O MolecularWeight: 312.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=NC2CC[NH+](CC2)CC3=CC=CC=C3)C1)[O-])C

Isomeric SMILES

CC1(CC(=CC(=NC2CC[NH+](CC2)CC3=CC=CC=C3)C1)[O-])C

InChI

InChI=1S/C20H28N2O/c1-20(2)13-18(12-19(23)14-20)21-17-8-10-22(11-9-17)15-16-6-4-3-5-7-16/h3-7,12,17,23H,8-11,13-15H2,1-2H3