(1-ethylpyrazol-4-yl)methyl-[(3R)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[(3R)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[(3R)-5-oxo-1-phenethyl-pyrrolidin-3-yl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[(3R)-5-oxo-1-phenethyl-3-pyrrolidinyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[(3R)-5-oxo-1-phenethylpyrrolidin-3-yl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[(3R)-5-keto-1-phenethyl-pyrrolidin-3-yl]ammonium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+][C@@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-2-22-13-16(12-20-22)11-19-17-10-18(23)21(14-17)9-8-15-6-4-3-5-7-15/h3-7,12-13,17,19H,2,8-11,14H2,1H3/p+1/t17-/m1/s1