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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C24H31N2O2S2+ MolecularWeight: 443.64514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC=C(C=C2)C3SCCCS3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC=C(C=C2)C3SCCCS3)[NH+]4CCCC4

InChI

InChI=1S/C24H30N2O2S2/c1-28-22-8-3-2-7-20(22)21(26-13-4-5-14-26)17-25-23(27)18-9-11-19(12-10-18)24-29-15-6-16-30-24/h2-3,7-12,21,24H,4-6,13-17H2,1H3,(H,25,27)/p+1/t21-/m0/s1