N-[5-chloranyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[5-chloranyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[5-chloro-2-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[5-chloro-2-[[(4-methyl-1-piperazin-4-iumyl)amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[5-chloro-2-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[5-chloro-2-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H19ClN4O2S/c1-21-6-8-22(9-7-21)20-16(23)13-5-4-12(18)11-14(13)19-17(24)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,19,24)(H,20,23)/p+1