(5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methoxy-3-methyl-2-benzofuranyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methoxy-3-methyl-1-benzofuran-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-methoxy-3-methyl-benzofuran-2-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)OC)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)OC)C

InChI

InChI=1S/C23H26N2O3/c1-16-6-4-5-7-18(16)15-24-10-12-25(13-11-24)23(26)22-17(2)20-14-19(27-3)8-9-21(20)28-22/h4-9,14H,10-13,15H2,1-3H3/p+1