N-cyclopropyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: N-cyclopropyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: N-cyclopropyl-3-nitro-4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]benzamide CAS Name: N-cyclopropyl-3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: N-cyclopropyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzamide Traditional Name: N-cyclopropyl-3-nitro-4-[4-(3-thenyl)piperazin-4-ium-1-yl]benzamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c24-19(20-16-2-3-16)15-1-4-17(18(11-15)23(25)26)22-8-6-21(7-9-22)12-14-5-10-27-13-14/h1,4-5,10-11,13,16H,2-3,6-9,12H2,(H,20,24)/p+1