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

Systemtic Name: 4-methyl-N-[(E)-3-oxidanylidene-3-piperazin-4-ium-1-yl-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: 4-methyl-N-[(E)-1-(piperazin-4-ium-1-carbonyl)-2-(3-pyridyl)vinyl]benzamide CAS Name: 4-methyl-N-[(E)-3-oxo-3-(1-piperazin-4-iumyl)-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: 4-methyl-N-[(E)-3-oxo-3-piperazin-4-ium-1-yl-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: 4-methyl-N-[(E)-1-(piperazin-4-ium-1-carbonyl)-2-(3-pyridyl)vinyl]benzamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-15-4-6-17(7-5-15)19(25)23-18(13-16-3-2-8-22-14-16)20(26)24-11-9-21-10-12-24/h2-8,13-14,21H,9-12H2,1H3,(H,23,25)/p+1/b18-13+