4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[(1R)-1-thiophen-2-ylethyl]benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[(1R)-1-thiophen-2-ylethyl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[(1R)-1-(2-thienyl)ethyl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[(1R)-1-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[(1R)-1-thiophen-2-ylethyl]benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[(1R)-1-(2-thienyl)ethyl]benzamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-13(17-4-3-11-26-17)19-18(23)14-5-6-15(16(12-14)22(24)25)21-9-7-20(2)8-10-21/h3-6,11-13H,7-10H2,1-2H3,(H,19,23)/p+1/t13-/m1/s1