5,5-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]cyclohex-2-en-1-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-cyclohex-2-enone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H26N2O/c1-19(2)13-17(12-18(22)14-19)21-10-8-20(9-11-21)15-16-6-4-3-5-7-16/h3-7,12H,8-11,13-15H2,1-2H3/p+1