6-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]indan-5-ol CAS Name: 6-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]indan-5-ol Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O/c30-26-19-24-13-7-12-23(24)18-25(26)20-28-14-16-29(17-15-28)27(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,18-19,27,30H,7,12-17,20H2/p+1