5-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-3,3-dimethyl-cyclohexan-1-one

Systemtic Name: 5-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-3,3-dimethyl-cyclohexan-1-one Openeye Name: 5-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-3,3-dimethyl-cyclohexanone CAS Name: 5-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]imino-3,3-dimethyl-1-cyclohexanone IUPAC Name: 5-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]imino-3,3-dimethylcyclohexan-1-one Traditional Name: 5-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]imino-3,3-dimethyl-cyclohexanone Formula: C21H31N2O2+ MolecularWeight: 343.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)CC(=O)C1)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/h6-9,20H,4-5,10-15H2,1-3H3/p+1/t20-/m1/s1