1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-indan-2-yl-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-indan-2-yl-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)C3CC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O2/c1-26-21-8-6-17(7-9-21)16-24-13-12-23(11-10-22(24)25)20-14-18-4-2-3-5-19(18)15-20/h2-9,20H,10-16H2,1H3/p+1