2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide Formula: C22H22ClN4O5S+ MolecularWeight: 489.95188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O5S/c1-32-16-4-2-3-14(11-16)24-19(28)13-25-7-9-26(10-8-25)22(29)21-20(23)17-6-5-15(27(30)31)12-18(17)33-21/h2-6,11-12H,7-10,13H2,1H3,(H,24,28)/p+1