3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-5,5-dimethyl-cyclohexen-1-olate

Systemtic Name: 3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-5,5-dimethyl-cyclohexen-1-olate Openeye Name: 3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-5,5-dimethyl-cyclohexen-1-olate CAS Name: 3-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]imino-5,5-dimethyl-1-cyclohexenolate IUPAC Name: 3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]imino-5,5-dimethylcyclohexen-1-olate Traditional Name: 3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-5,5-dimethyl-cyclohexen-1-olate Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)C1)[O-])C

Isomeric SMILES

CC1(CC(=CC(=NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)C1)[O-])C

InChI

InChI=1S/C21H30N2O2/c1-21(2)13-17(12-18(24)14-21)22-15-20(23-10-4-5-11-23)16-6-8-19(25-3)9-7-16/h6-9,12,20,24H,4-5,10-11,13-15H2,1-3H3/t20-/m0/s1