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

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H31N2OS2+ MolecularWeight: 427.64574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C24H30N2OS2/c27-23(21-9-11-22(12-10-21)24-28-15-4-16-29-24)25-17-19-5-7-20(8-6-19)18-26-13-2-1-3-14-26/h5-12,24H,1-4,13-18H2,(H,25,27)/p+1