(3S)-1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-cyclohexylpiperidin-1-ium-3-yl]-homoveratryl-methyl-amine Formula: C22H37N2O2+ MolecularWeight: 361.54138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC[NH+](C2)C3CCCCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCC[NH+](C2)C3CCCCC3

InChI

InChI=1S/C22H36N2O2/c1-23(15-13-18-11-12-21(25-2)22(16-18)26-3)20-10-7-14-24(17-20)19-8-5-4-6-9-19/h11-12,16,19-20H,4-10,13-15,17H2,1-3H3/p+1/t20-/m0/s1