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

Systemtic Name: 1-benzofuran-2-yl-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: benzofuran-2-yl-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-benzofuranyl-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-benzofuran-2-yl-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: benzofuran-2-yl-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O2/c1-16-5-4-6-17(13-16)15-22-9-11-23(12-10-22)21(24)20-14-18-7-2-3-8-19(18)25-20/h2-8,13-14H,9-12,15H2,1H3/p+1