[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-methyl-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-methyl-(3-pyrazol-1-ylbenzyl)ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)N2C=CC=N2)C3CN(CC3O)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)N2C=CC=N2)[C@H]3CN(C[C@@H]3O)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N4O3/c1-25(14-17-5-3-6-19(13-17)27-12-4-11-24-27)21-15-26(16-22(21)28)23(29)18-7-9-20(30-2)10-8-18/h3-13,21-22,28H,14-16H2,1-2H3/p+1/t21-,22-/m0/s1