4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-thiazol-2-yl-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(2-thiazolyl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-thiazol-2-yl-benzamide Formula: C15H18N5O3S+ MolecularWeight: 348.40012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c1-18-5-7-19(8-6-18)12-3-2-11(10-13(12)20(22)23)14(21)17-15-16-4-9-24-15/h2-4,9-10H,5-8H2,1H3,(H,16,17,21)/p+1