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

Systemtic Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium Openeye Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium CAS Name: 1-[5,5-dimethyl-3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-4-phenylpiperazin-1-ium Traditional Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazin-1-ium Formula: C22H33N3+2 MolecularWeight: 339.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCC2)C1)[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCC2)C1)[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H32N3/c1-22(2)17-20(23-10-6-7-11-23)16-21(18-22)25-14-12-24(13-15-25)19-8-4-3-5-9-19/h3-5,8-9,16H,6-7,10-15,17-18H2,1-2H3/q+1/p+1