3-(3,5-dimethylpyrazol-1-yl)propyl-[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-azanium

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-azanium Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-ammonium CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)propyl-[(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-methylammonium IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methylazanium Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)propyl-[(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-methyl-ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[NH+](C)C2CN(CC2O)C(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=NN1CCC[NH+](C)[C@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H30N4O3/c1-15-12-16(2)25(22-15)11-5-10-23(3)19-13-24(14-20(19)26)21(27)17-6-8-18(28-4)9-7-17/h6-9,12,19-20,26H,5,10-11,13-14H2,1-4H3/p+1/t19-,20-/m0/s1