N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]thiophene-2-carboxamide Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O4S/c1-22-6-8-23(9-7-22)20(25)15(21-19(24)18-3-2-10-28-18)11-14-4-5-16-17(12-14)27-13-26-16/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)/p+1/b15-11+