(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-methyl-(phenylmethyl)azanium

Systemtic Name: (5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-methyl-(phenylmethyl)azanium Openeye Name: benzyl-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-methyl-ammonium CAS Name: [5,5-dimethyl-3-(1-piperidin-1-iumylidene)-1-cyclohexenyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-methylazanium Traditional Name: benzyl-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-methyl-ammonium Formula: C21H32N2+2 MolecularWeight: 312.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H31N2/c1-21(2)15-19(22(3)17-18-10-6-4-7-11-18)14-20(16-21)23-12-8-5-9-13-23/h4,6-7,10-11,14H,5,8-9,12-13,15-17H2,1-3H3/q+1/p+1