2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C19H24N4O2S/c1-14-3-2-4-15(13-14)23-10-8-22(9-11-23)7-5-17(24)21-19-16(18(20)25)6-12-26-19/h2-4,6,12-13H,5,7-11H2,1H3,(H2,20,25)(H,21,24)/p+1