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

Systemtic Name: (3-methyl-1-benzofuran-2-yl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methylbenzofuran-2-yl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-2-benzofuranyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-1-benzofuran-2-yl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methylbenzofuran-2-yl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C22H24N2O2/c1-16-6-5-7-18(14-16)15-23-10-12-24(13-11-23)22(25)21-17(2)19-8-3-4-9-20(19)26-21/h3-9,14H,10-13,15H2,1-2H3/p+1