2-[(2R)-5-oxidanylidene-1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl-propyl-azanium

Systemtic Name: 2-[(2R)-5-oxidanylidene-1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl-propyl-azanium Openeye Name: 2-[(2R)-5-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl-propyl-ammonium CAS Name: 2-[(2R)-5-oxo-1-[[3-(1-pyrazolyl)phenyl]methyl]-2-pyrrolidinyl]ethyl-propylammonium IUPAC Name: 2-[(2R)-5-oxo-1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl-propylazanium Traditional Name: 2-[(2R)-5-keto-1-(3-pyrazol-1-ylbenzyl)pyrrolidin-2-yl]ethyl-propyl-ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CCC1CCC(=O)N1CC2=CC(=CC=C2)N3C=CC=N3

Isomeric SMILES

CCC[NH2+]CC[C@H]1CCC(=O)N1CC2=CC(=CC=C2)N3C=CC=N3

InChI

InChI=1S/C19H26N4O/c1-2-10-20-12-9-17-7-8-19(24)22(17)15-16-5-3-6-18(14-16)23-13-4-11-21-23/h3-6,11,13-14,17,20H,2,7-10,12,15H2,1H3/p+1/t17-/m1/s1