N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O3S/c1-3-24-8-10-25(11-9-24)17-4-6-19(15(2)12-17)23-22(27)21-14-16-13-18(26(28)29)5-7-20(16)30-21/h4-7,12-14H,3,8-11H2,1-2H3,(H,23,27)/p+1