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

Systemtic Name: ethyl-[2-[(2R)-5-oxidanylidene-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl]azanium Openeye Name: ethyl-[2-[(2R)-5-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl]ammonium CAS Name: ethyl-[2-[(2R)-5-oxo-1-[[4-(1-pyrazolyl)phenyl]methyl]-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: ethyl-[2-[(2R)-5-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]ethyl]azanium Traditional Name: ethyl-[2-[(2R)-5-keto-1-(4-pyrazol-1-ylbenzyl)pyrrolidin-2-yl]ethyl]ammonium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-2-19-12-10-16-8-9-18(23)21(16)14-15-4-6-17(7-5-15)22-13-3-11-20-22/h3-7,11,13,16,19H,2,8-10,12,14H2,1H3/p+1/t16-/m1/s1