3,4-dimethyl-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 3,4-dimethyl-N-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 3,4-dimethyl-N-[(1R,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 3,4-dimethyl-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 3,4-dimethyl-N-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3OS/c1-15-7-8-18(14-16(15)2)21(25)22-17(3)20(19-6-5-13-26-19)24-11-9-23(4)10-12-24/h5-8,13-14,17,20H,9-12H2,1-4H3,(H,22,25)/p+2/t17-,20-/m1/s1