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

Systemtic Name: N-[(E)-1-(2-methoxyphenyl)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-2-(2-methoxyphenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-1-(2-methoxyphenyl)-3-oxo-3-(1-piperazin-4-iumyl)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-1-(2-methoxyphenyl)-3-oxo-3-piperazin-4-ium-1-ylprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-2-(2-methoxyphenyl)-1-(piperazin-4-ium-1-carbonyl)vinyl]-4-methyl-benzamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2OC)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2OC)/C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C22H25N3O3/c1-16-7-9-17(10-8-16)21(26)24-19(22(27)25-13-11-23-12-14-25)15-18-5-3-4-6-20(18)28-2/h3-10,15,23H,11-14H2,1-2H3,(H,24,26)/p+1/b19-15+