(6R)-4-(3-methylbut-2-enyl)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-(3-methylbut-2-enyl)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-benzyloxy-4-(3-methylbut-2-enyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-(3-methylbut-2-enyl)-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-(3-methylbut-2-enyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-benzoxy-1-[3-(2-ketopyrrolidino)propyl]-4-(3-methylbut-2-enyl)-1,4-diazepan-4-ium-2-one Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CC(CN(C(=O)C1)CCCN2CCCC2=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC(=CC[NH+]1C[C@@H](CN(C(=O)C1)CCCN2CCCC2=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C24H35N3O3/c1-20(2)11-15-25-16-22(30-19-21-8-4-3-5-9-21)17-27(24(29)18-25)14-7-13-26-12-6-10-23(26)28/h3-5,8-9,11,22H,6-7,10,12-19H2,1-2H3/p+1/t22-/m0/s1