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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-20-8-10-21(11-9-20)16-5-4-14(13-17(16)22(24)25)18(23)19-7-6-15-3-2-12-26-15/h2-5,12-13H,6-11H2,1H3,(H,19,23)/p+1