N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C20H22N5O4S+ MolecularWeight: 428.48478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-29-16-4-2-3-14(11-16)21-19(26)13-23-7-9-24(10-8-23)20-22-17-6-5-15(25(27)28)12-18(17)30-20/h2-6,11-12H,7-10,13H2,1H3,(H,21,26)/p+1