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

Systemtic Name: 6-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]indan-5-ol CAS Name: 6-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[(4-benzylpiperidin-1-ium-1-yl)methyl]indan-5-ol Formula: C22H28NO+ MolecularWeight: 322.46382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27NO/c24-22-15-20-8-4-7-19(20)14-21(22)16-23-11-9-18(10-12-23)13-17-5-2-1-3-6-17/h1-3,5-6,14-15,18,24H,4,7-13,16H2/p+1