4-methyl-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 4-methyl-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 4-methyl-N-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-methyl-N-[(1R,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 4-methyl-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 4-methyl-N-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C)C(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N3OS/c1-15-6-8-17(9-7-15)20(24)21-16(2)19(18-5-4-14-25-18)23-12-10-22(3)11-13-23/h4-9,14,16,19H,10-13H2,1-3H3,(H,21,24)/p+2/t16-,19-/m1/s1