N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,4-dithiepan-6-yl)-N-methyl-piperidin-3-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,4-dithiepan-6-yl)-N-methyl-piperidin-3-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,4-dithiepan-6-yl)-N-methyl-piperidin-3-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,4-dithiepan-6-yl)-N-methyl-3-piperidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1,4-dithiepan-6-yl)-N-methylpiperidin-3-amine Traditional Name: [1-(1,4-dithiepan-6-yl)-3-piperidyl]-homoveratryl-methyl-amine Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C3CSCCSC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C3CSCCSC3

InChI

InChI=1S/C21H34N2O2S2/c1-22(10-8-17-6-7-20(24-2)21(13-17)25-3)18-5-4-9-23(14-18)19-15-26-11-12-27-16-19/h6-7,13,18-19H,4-5,8-12,14-16H2,1-3H3