4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-isopropyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-isopropyl-coumarin Formula: C30H33N2O2+ MolecularWeight: 453.59522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H32N2O2/c1-22(2)25-13-14-28-27(19-25)26(20-29(33)34-28)21-31-15-17-32(18-16-31)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-20,22,30H,15-18,21H2,1-2H3/p+1