3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propan-1-one Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=C(ON=C3C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCC3=C(ON=C3C)C

InChI

InChI=1S/C20H27N3O2/c1-15-6-4-5-7-18(15)14-22-10-12-23(13-11-22)20(24)9-8-19-16(2)21-25-17(19)3/h4-7H,8-14H2,1-3H3/p+1