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

Systemtic Name: 6-tert-butyl-4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-tert-butyl-chromen-2-one CAS Name: 6-tert-butyl-4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-tert-butylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-tert-butyl-coumarin Formula: C31H35N2O2+ MolecularWeight: 467.6218

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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)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(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/C31H34N2O2/c1-31(2,3)26-14-15-28-27(21-26)25(20-29(34)35-28)22-32-16-18-33(19-17-32)30(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20-21,30H,16-19,22H2,1-3H3/p+1