4-(1,3-dithian-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C25H33N2O2S2+ MolecularWeight: 457.67172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)C3SCCCS3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)C3SCCCS3)[NH+]4CCCCC4

InChI

InChI=1S/C25H32N2O2S2/c1-29-22-12-10-19(11-13-22)23(27-14-3-2-4-15-27)18-26-24(28)20-6-8-21(9-7-20)25-30-16-5-17-31-25/h6-13,23,25H,2-5,14-18H2,1H3,(H,26,28)/p+1/t23-/m0/s1