1-benzofuran-2-yl-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-benzofuran-2-yl-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3)OC)OC

InChI

InChI=1S/C23H26N2O4/c1-16-12-20(27-2)21(28-3)14-18(16)15-24-8-10-25(11-9-24)23(26)22-13-17-6-4-5-7-19(17)29-22/h4-7,12-14H,8-11,15H2,1-3H3/p+1