4-(1,3-dithian-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C20H31N2OS2+ MolecularWeight: 379.60294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H30N2OS2/c1-16-6-2-3-12-22(16)13-4-11-21-19(23)17-7-9-18(10-8-17)20-24-14-5-15-25-20/h7-10,16,20H,2-6,11-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1