(6S)-4-(furan-3-ylmethyl)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-4-(furan-3-ylmethyl)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-6-benzyloxy-4-(3-furylmethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-4-ium-2-one CAS Name: (6S)-4-(3-furanylmethyl)-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-4-(furan-3-ylmethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-6-benzoxy-4-(3-furfuryl)-1-[3-(2-ketopyrrolidino)propyl]-1,4-diazepan-4-ium-2-one Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2CC(C[NH+](CC2=O)CC3=COC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C[C@@H](C[NH+](CC2=O)CC3=COC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4/c28-23-8-4-10-26(23)11-5-12-27-16-22(31-19-20-6-2-1-3-7-20)15-25(17-24(27)29)14-21-9-13-30-18-21/h1-3,6-7,9,13,18,22H,4-5,8,10-12,14-17,19H2/p+1/t22-/m1/s1