4-(1,3-dithian-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H29N2OS2+ MolecularWeight: 413.61916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C23H28N2OS2/c26-22(20-8-10-21(11-9-20)23-27-14-3-15-28-23)24-16-18-4-6-19(7-5-18)17-25-12-1-2-13-25/h4-11,23H,1-3,12-17H2,(H,24,26)/p+1