5-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-thiophene-2-carboxamide

Systemtic Name: 5-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-thiophene-2-carboxamide Openeye Name: 5-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-thiophene-2-carboxamide CAS Name: 5-methyl-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-4-nitro-2-thiophenecarboxamide IUPAC Name: 5-methyl-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-nitrothiophene-2-carboxamide Traditional Name: 5-methyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-nitro-thiophene-2-carboxamide Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=C(S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC(=C(S3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O3S/c1-14-4-3-5-16(12-14)22-10-8-21(9-11-22)7-6-20-19(24)18-13-17(23(25)26)15(2)27-18/h3-5,12-13H,6-11H2,1-2H3,(H,20,24)/p+1