3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H22N2O3/c1-16-5-4-6-17(13-16)15-23-9-11-24(12-10-23)21(25)19-14-18-7-2-3-8-20(18)27-22(19)26/h2-8,13-14H,9-12,15H2,1H3/p+1