N-[3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylamino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethylamino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethylamino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-keto-3-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethylamino]propyl]thiophene-3-carboxamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H28N4O2S/c1-17-3-2-4-19(15-17)25-12-10-24(11-13-25)9-8-22-20(26)5-7-23-21(27)18-6-14-28-16-18/h2-4,6,14-16H,5,7-13H2,1H3,(H,22,26)(H,23,27)/p+1