N-[(E)-1-(4-bromophenyl)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-2-(4-bromophenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-oxo-3-(1-piperazin-4-iumyl)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperazin-4-ium-1-ylprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-2-(4-bromophenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-4-methyl-benzamide Formula: C21H23BrN3O2+ MolecularWeight: 429.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C21H22BrN3O2/c1-15-2-6-17(7-3-15)20(26)24-19(14-16-4-8-18(22)9-5-16)21(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3,(H,24,26)/p+1/b19-14+