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

Systemtic Name: 3,3-dimethyl-5-[1-(phenylmethyl)piperidin-1-ium-4-yl]imino-cyclohexan-1-one Openeye Name: 5-(1-benzylpiperidin-1-ium-4-yl)imino-3,3-dimethyl-cyclohexanone CAS Name: 3,3-dimethyl-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]-1-cyclohexanone IUPAC Name: 5-(1-benzylpiperidin-1-ium-4-yl)imino-3,3-dimethylcyclohexan-1-one Traditional Name: 5-(1-benzylpiperidin-1-ium-4-yl)imino-3,3-dimethyl-cyclohexanone Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=NC2CC[NH+](CC2)CC3=CC=CC=C3)CC(=O)C1)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/h3-7,17H,8-15H2,1-2H3/p+1