2-(1,2-benzoxazol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-indoxazen-3-yl-1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O2/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)21(25)14-19-18-7-2-3-8-20(18)26-22-19/h2-8,13H,9-12,14-15H2,1H3/p+1