[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-[(1-isopropylpyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-methyl-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-[(1-isopropylpyrazol-4-yl)methyl]-methyl-ammonium Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](C)C2CN(CC2O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](C)[C@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O3/c1-14(2)24-11-15(9-21-24)10-22(3)18-12-23(13-19(18)25)20(26)16-5-7-17(27-4)8-6-16/h5-9,11,14,18-19,25H,10,12-13H2,1-4H3/p+1/t18-,19-/m0/s1