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

Systemtic Name: 3-methoxy-4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3-methoxy-4-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 4-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-methoxy-benzaldehyde Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N2O4/c1-30-24-15-19(17-28)9-10-23(24)31-18-25(29)27-13-11-26(12-14-27)16-21-7-4-6-20-5-2-3-8-22(20)21/h2-10,15,17H,11-14,16,18H2,1H3/p+1