(6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-indan-2-yl-6-methoxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-(2,3-dihydro-1H-inden-2-yl)-6-methoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-indan-2-yl-6-methoxy-1,4-diazepan-4-ium-2-one Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O2/c1-26-21-14-23(20-11-18-9-5-6-10-19(18)12-20)16-22(25)24(15-21)13-17-7-3-2-4-8-17/h2-10,20-21H,11-16H2,1H3/p+1/t21-/m0/s1