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

Systemtic Name: 3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-17(2)19-9-7-18(8-10-19)16-25-11-13-26(14-12-25)23(27)21-15-20-5-3-4-6-22(20)29-24(21)28/h3-10,15,17H,11-14,16H2,1-2H3/p+1