[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-nitro-2-thienyl)methanone Formula: C17H17N4O3S2+ MolecularWeight: 389.47188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S2/c22-17(14-5-6-16(26-14)21(23)24)20-9-7-19(8-10-20)11-15-18-12-3-1-2-4-13(12)25-15/h1-6H,7-11H2/p+1