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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-6-methyl-chromen-2-one Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-methyl-chromen-2-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-6-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-methylchromen-2-one Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-6-methyl-coumarin Formula: C28H29N2O2+ MolecularWeight: 425.54206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2/c1-21-12-13-26-25(18-21)24(19-27(31)32-26)20-29-14-16-30(17-15-29)28(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18-19,28H,14-17,20H2,1H3/p+1