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

Systemtic Name: 4-ethoxy-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide CAS Name: 4-ethoxy-N-[(1R,2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(1R,2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1R,2R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C)C(C2=CC=CS2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C)[C@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C21H29N3O2S/c1-4-26-18-9-7-17(8-10-18)21(25)22-16(2)20(19-6-5-15-27-19)24-13-11-23(3)12-14-24/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,22,25)/p+2/t16-,20-/m1/s1