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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Formula: C19H19N4O3S+ MolecularWeight: 383.44416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c24-19(14-4-3-5-15(12-14)23(25)26)22-10-8-21(9-11-22)13-18-20-16-6-1-2-7-17(16)27-18/h1-7,12H,8-11,13H2/p+1