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

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzaldehyde Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-3-methoxy-benzaldehyde CAS Name: 3-methoxy-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzaldehyde IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-methoxy-benzaldehyde Formula: C21H25N2O4+ MolecularWeight: 369.4342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-26-20-13-18(15-24)7-8-19(20)27-16-21(25)23-11-9-22(10-12-23)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14,16H2,1H3/p+1