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

Systemtic Name: N-cyclopropyl-4-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzamide Openeye Name: N-cyclopropyl-4-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide CAS Name: N-cyclopropyl-4-[[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzamide IUPAC Name: N-cyclopropyl-4-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzamide Traditional Name: N-cyclopropyl-4-[[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide Formula: C21H28N5O3S+ MolecularWeight: 430.54372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC2=C(C=C(C=C2)C(=O)NC3CC3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H27N5O3S/c1-24-8-10-25(11-9-24)19(20-3-2-12-30-20)14-22-17-7-4-15(13-18(17)26(28)29)21(27)23-16-5-6-16/h2-4,7,12-13,16,19,22H,5-6,8-11,14H2,1H3,(H,23,27)/p+1/t19-/m1/s1