2-[(2R)-5-oxidanylidene-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2R)-5-oxidanylidene-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2R)-5-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl]ammonium CAS Name: 2-[(2R)-5-oxo-1-[[4-(1-pyrazolyl)phenyl]methyl]-2-pyrrolidinyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2R)-5-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl]azanium Traditional Name: benzyl-[2-[(2R)-5-keto-1-(4-pyrazol-1-ylbenzyl)pyrrolidin-2-yl]ethyl]ammonium Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1CC[NH2+]CC2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC(=O)N([C@H]1CC[NH2+]CC2=CC=CC=C2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N4O/c28-23-12-11-21(13-15-24-17-19-5-2-1-3-6-19)26(23)18-20-7-9-22(10-8-20)27-16-4-14-25-27/h1-10,14,16,21,24H,11-13,15,17-18H2/p+1/t21-/m1/s1