(6R)-6-methoxy-4-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-methoxy-4-[(1-methylindol-3-yl)methyl]-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-6-methoxy-4-[(1-methylindol-3-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-methoxy-4-[(1-methyl-3-indolyl)methyl]-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-6-methoxy-4-[(1-methylindol-3-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-6-methoxy-4-[(1-methylindol-3-yl)methyl]-1,4-diazepan-4-ium-2-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CC(CN(C(=O)C3)CC4=CC=CC=C4)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3C[C@@H](CN(C(=O)C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-24-13-19(21-10-6-7-11-22(21)24)14-25-15-20(28-2)16-26(23(27)17-25)12-18-8-4-3-5-9-18/h3-11,13,20H,12,14-17H2,1-2H3/p+1/t20-/m0/s1