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

Systemtic Name: N-[(Z)-1-(4-bromophenyl)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-en-2-yl]-4-methoxy-benzamide Openeye Name: N-[(Z)-2-(4-bromophenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-4-methoxy-benzamide CAS Name: N-[(Z)-1-(4-bromophenyl)-3-oxo-3-(1-piperazin-4-iumyl)prop-1-en-2-yl]-4-methoxybenzamide IUPAC Name: N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-4-ium-1-ylprop-1-en-2-yl]-4-methoxybenzamide Traditional Name: N-[(Z)-2-(4-bromophenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-4-methoxy-benzamide Formula: C21H23BrN3O3+ MolecularWeight: 445.32962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C21H22BrN3O3/c1-28-18-8-4-16(5-9-18)20(26)24-19(14-15-2-6-17(22)7-3-15)21(27)25-12-10-23-11-13-25/h2-9,14,23H,10-13H2,1H3,(H,24,26)/p+1/b19-14-