3-methoxy-4-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethoxy]benzaldehyde

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethoxy]benzaldehyde Openeye Name: 3-methoxy-4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethoxy]benzaldehyde Traditional Name: 4-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethoxy]-3-methoxy-benzaldehyde Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C19H21N3O4/c1-25-18-12-15(13-23)2-3-17(18)26-14-19(24)22-10-8-21(9-11-22)16-4-6-20-7-5-16/h2-7,12-13H,8-11,14H2,1H3/p+1