1-benzofuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)OC)OC

InChI

InChI=1S/C23H26N2O5/c1-27-19-9-8-17(21(28-2)22(19)29-3)15-24-10-12-25(13-11-24)23(26)20-14-16-6-4-5-7-18(16)30-20/h4-9,14H,10-13,15H2,1-3H3/p+1