[(3R)-1-[6-oxidanylidene-1-[4-(phenylcarbonyloxy)butyl]pyridazin-4-yl]pyrrolidin-3-yl]methylazanium

Systemtic Name: [(3R)-1-[6-oxidanylidene-1-[4-(phenylcarbonyloxy)butyl]pyridazin-4-yl]pyrrolidin-3-yl]methylazanium Openeye Name: [(3R)-1-[1-(4-benzoyloxybutyl)-6-oxo-pyridazin-4-yl]pyrrolidin-3-yl]methylammonium CAS Name: [(3R)-1-[1-(4-benzoyloxybutyl)-6-oxo-4-pyridazinyl]-3-pyrrolidinyl]methylammonium IUPAC Name: [(3R)-1-[1-(4-benzoyloxybutyl)-6-oxopyridazin-4-yl]pyrrolidin-3-yl]methylazanium Traditional Name: [(3R)-1-[1-(4-benzoyloxybutyl)-6-keto-pyridazin-4-yl]pyrrolidin-3-yl]methylammonium Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C[NH3+])C2=CC(=O)N(N=C2)CCCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]1C[NH3+])C2=CC(=O)N(N=C2)CCCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c21-13-16-8-10-23(15-16)18-12-19(25)24(22-14-18)9-4-5-11-27-20(26)17-6-2-1-3-7-17/h1-3,6-7,12,14,16H,4-5,8-11,13,15,21H2/p+1/t16-/m1/s1