(6S)-6-(cyclopropylmethoxy)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-phenethyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-6-(cyclopropylmethoxy)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-phenethyl-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-(cyclopropylmethoxy)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenethyl-1,4-diazepan-4-ium-2-one CAS Name: (6S)-6-(cyclopropylmethoxy)-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-phenethyl-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-6-(cyclopropylmethoxy)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenethyl-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-(cyclopropylmethoxy)-1-[3-(2-ketopyrrolidino)propyl]-4-phenethyl-1,4-diazepan-4-ium-2-one Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2CC(C[NH+](CC2=O)CCC3=CC=CC=C3)OCC4CC4

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C[C@@H](C[NH+](CC2=O)CCC3=CC=CC=C3)OCC4CC4

InChI

InChI=1S/C24H35N3O3/c28-23-8-4-12-26(23)13-5-14-27-17-22(30-19-21-9-10-21)16-25(18-24(27)29)15-11-20-6-2-1-3-7-20/h1-3,6-7,21-22H,4-5,8-19H2/p+1/t22-/m1/s1