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

Systemtic Name: N-[(E)-1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-1-(3,4-dimethoxyphenyl)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-1-(3,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]thiophene-2-carboxamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-23-8-10-24(11-9-23)21(26)16(22-20(25)19-5-4-12-29-19)13-15-6-7-17(27-2)18(14-15)28-3/h4-7,12-14H,8-11H2,1-3H3,(H,22,25)/p+1/b16-13+