3,4-dimethyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-3,4-dimethyl-benzamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C

InChI

InChI=1S/C20H24N4O2/c1-15-3-4-17(13-16(15)2)20(26)22-14-19(25)24-11-9-23(10-12-24)18-5-7-21-8-6-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)/p+1