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

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-prop-1-en-2-yl]thiophene-2-carboxamide Openeye Name: N-[(E)-2-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]thiophene-2-carboxamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxoprop-1-en-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(E)-1-(4-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Traditional Name: N-[(E)-2-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-carbonyl)vinyl]thiophene-2-carboxamide Formula: C19H21BrN3O2S+ MolecularWeight: 435.35794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2S/c1-22-8-10-23(11-9-22)19(25)16(13-14-4-6-15(20)7-5-14)21-18(24)17-3-2-12-26-17/h2-7,12-13H,8-11H2,1H3,(H,21,24)/p+1/b16-13+