4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]-3-methoxy-benzaldehyde Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H26N2O5/c1-28-22-13-18(15-26)3-5-21(22)30-16-23(27)25-9-7-24(8-10-25)14-17-2-4-20-19(12-17)6-11-29-20/h2-5,12-13,15H,6-11,14,16H2,1H3/p+1