3-(3,5-dimethylphenoxy)-2-methyl-7-oxidanyl-8-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-2-methyl-7-oxidanyl-8-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 8-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 8-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methylchromen-4-one Traditional Name: 8-[(4-benzylpiperazin-1-ium-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-chromone Formula: C30H33N2O4+ MolecularWeight: 485.59402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CC5=CC=CC=C5)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CC5=CC=CC=C5)O)C)C

InChI

InChI=1S/C30H32N2O4/c1-20-15-21(2)17-24(16-20)36-29-22(3)35-30-25(28(29)34)9-10-27(33)26(30)19-32-13-11-31(12-14-32)18-23-7-5-4-6-8-23/h4-10,15-17,33H,11-14,18-19H2,1-3H3/p+1