(6S)-1-(2-methylpropyl)-4-phenethyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-1-(2-methylpropyl)-4-phenethyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-1-isobutyl-4-phenethyl-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6S)-1-(2-methylpropyl)-4-phenethyl-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-1-(2-methylpropyl)-4-phenethyl-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-1-isobutyl-4-phenethyl-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(C[NH+](CC1=O)CCC2=CC=CC=C2)OCC3=CC=CC=N3

Isomeric SMILES

CC(C)CN1C[C@@H](C[NH+](CC1=O)CCC2=CC=CC=C2)OCC3=CC=CC=N3

InChI

InChI=1S/C23H31N3O2/c1-19(2)14-26-16-22(28-18-21-10-6-7-12-24-21)15-25(17-23(26)27)13-11-20-8-4-3-5-9-20/h3-10,12,19,22H,11,13-18H2,1-2H3/p+1/t22-/m1/s1