8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C30H33N2O3+ MolecularWeight: 469.59462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H32N2O3/c1-3-22-19-25-21(2)18-27(33)35-30(25)26(29(22)34)20-31-14-16-32(17-15-31)28(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-13,18-19,28,34H,3,14-17,20H2,1-2H3/p+1