1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)azepan-1-ium

Systemtic Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)azepan-1-ium Openeye Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)azepan-1-ium CAS Name: 1-[5,5-dimethyl-3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]azepan-1-ium IUPAC Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)azepan-1-ium Traditional Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)azepan-1-ium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCC2)C1)[NH+]3CCCCCC3)C

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCC2)C1)[NH+]3CCCCCC3)C

InChI

InChI=1S/C18H31N2/c1-18(2)14-16(19-9-5-3-4-6-10-19)13-17(15-18)20-11-7-8-12-20/h13H,3-12,14-15H2,1-2H3/q+1/p+1