6-tert-butyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-tert-butyl-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N2O3/c1-25(2,3)19-5-10-23-22(16-19)18(15-24(28)30-23)17-26-11-13-27(14-12-26)20-6-8-21(29-4)9-7-20/h5-10,15-16H,11-14,17H2,1-4H3/p+1