(6S)-1-(2-methylpropyl)-6-phenylmethoxy-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-1-(2-methylpropyl)-6-phenylmethoxy-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-benzyloxy-1-isobutyl-4-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6S)-1-(2-methylpropyl)-6-phenylmethoxy-4-(2-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-1-(2-methylpropyl)-6-phenylmethoxy-4-(pyridin-2-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-benzoxy-1-isobutyl-4-(2-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(C[NH+](CC1=O)CC2=CC=CC=N2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C[C@@H](C[NH+](CC1=O)CC2=CC=CC=N2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-18(2)12-25-15-21(27-17-19-8-4-3-5-9-19)14-24(16-22(25)26)13-20-10-6-7-11-23-20/h3-11,18,21H,12-17H2,1-2H3/p+1/t21-/m1/s1