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

Systemtic Name: 4-ethoxy-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-ethoxy-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-ethoxy-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C20H24N4O3/c1-2-27-18-5-3-16(4-6-18)20(26)22-15-19(25)24-13-11-23(12-14-24)17-7-9-21-10-8-17/h3-10H,2,11-15H2,1H3,(H,22,26)/p+1