(6R)-4-(1H-indol-2-ylmethyl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(1H-indol-2-ylmethyl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-(1H-indol-2-ylmethyl)-6-methoxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(1H-indol-2-ylmethyl)-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-(1H-indol-2-ylmethyl)-6-methoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-(1H-indol-2-ylmethyl)-6-methoxy-1,4-diazepan-4-ium-2-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O2/c1-27-20-14-24(13-19-11-18-9-5-6-10-21(18)23-19)16-22(26)25(15-20)12-17-7-3-2-4-8-17/h2-11,20,23H,12-16H2,1H3/p+1/t20-/m0/s1