ethyl-[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: ethyl-[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: ethyl-[(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: ethyl-[(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: ethyl-[(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: ethyl-[(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-(2-pyrazol-1-ylethyl)ammonium Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C=CC=N1)C2CN(CC2O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CCN1C=CC=N1)[C@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N4O3/c1-3-21(11-12-23-10-4-9-20-23)17-13-22(14-18(17)24)19(25)15-5-7-16(26-2)8-6-15/h4-10,17-18,24H,3,11-14H2,1-2H3/p+1/t17-,18-/m0/s1