N,5,5-trimethyl-N-(phenylmethyl)-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-amine iodide

Systemtic Name: N,5,5-trimethyl-N-(phenylmethyl)-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-amine iodide Openeye Name: N-benzyl-N,5,5-trimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-amine iodide CAS Name: N,5,5-trimethyl-N-(phenylmethyl)-3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenamine iodide IUPAC Name: N-benzyl-N,5,5-trimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-amine iodide Traditional Name: benzyl-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-methyl-amine iodide Formula: C20H29IN2 MolecularWeight: 424.36213

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCC2)C1)N(C)CC3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCC2)C1)N(C)CC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C20H29N2.HI/c1-20(2)14-18(13-19(15-20)22-11-7-8-12-22)21(3)16-17-9-5-4-6-10-17;/h4-6,9-10,13H,7-8,11-12,14-16H2,1-3H3;1H/q+1;/p-1