N-[4-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)anilino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-4-keto-butyl]thiophene-3-carboxamide Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2S/c1-24-8-10-25(11-9-24)18-5-4-16(21)13-17(18)23-19(26)3-2-7-22-20(27)15-6-12-28-14-15/h4-6,12-14H,2-3,7-11H2,1H3,(H,22,27)(H,23,26)/p+1