4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,7,8-trimethyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-5,7,8-trimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,7,8-trimethylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-5,7,8-trimethyl-coumarin Formula: C30H33N2O2+ MolecularWeight: 453.59522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C

InChI

InChI=1S/C30H32N2O2/c1-21-18-22(2)28-26(19-27(33)34-30(28)23(21)3)20-31-14-16-32(17-15-31)29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,18-19,29H,14-17,20H2,1-3H3/p+1