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

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzaldehyde Openeye Name: 3-methoxy-4-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzaldehyde Traditional Name: 4-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-methoxy-benzaldehyde Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H23N3O4/c1-26-19-12-17(14-24)2-3-18(19)27-15-20(25)23-10-8-22(9-11-23)13-16-4-6-21-7-5-16/h2-7,12,14H,8-11,13,15H2,1H3/p+1