1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium

Systemtic Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium Openeye Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium CAS Name: 1-[5,5-dimethyl-3-(1-piperidin-1-iumylidene)-1-cyclohexenyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)-4-phenylpiperazin-1-ium Traditional Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium Formula: C23H35N3+2 MolecularWeight: 353.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H34N3/c1-23(2)18-21(24-11-7-4-8-12-24)17-22(19-23)26-15-13-25(14-16-26)20-9-5-3-6-10-20/h3,5-6,9-10,17H,4,7-8,11-16,18-19H2,1-2H3/q+1/p+1