N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)-3-piperidin-1-iumyl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[(3R)-1-(1,4-dithiepan-6-yl)piperidin-1-ium-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C20H31N2O3S2+ MolecularWeight: 411.60174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2CCC[NH+](C2)C3CSCCSC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC[C@H]2CCC[NH+](C2)C3CSCCSC3)OC

InChI

InChI=1S/C20H30N2O3S2/c1-24-18-8-16(9-19(10-18)25-2)20(23)21-11-15-4-3-5-22(12-15)17-13-26-6-7-27-14-17/h8-10,15,17H,3-7,11-14H2,1-2H3,(H,21,23)/p+1/t15-/m1/s1