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

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(oxan-4-yl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-tetrahydropyran-4-yl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-oxanyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(oxan-4-yl)piperidin-1-ium-3-amine Traditional Name: homoveratryl-methyl-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]amine Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC[NH+](C2)C3CCOCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCC[NH+](C2)C3CCOCC3

InChI

InChI=1S/C21H34N2O3/c1-22(12-8-17-6-7-20(24-2)21(15-17)25-3)19-5-4-11-23(16-19)18-9-13-26-14-10-18/h6-7,15,18-19H,4-5,8-14,16H2,1-3H3/p+1/t19-/m0/s1