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

Systemtic Name: [(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-methyl-(3-thenyl)ammonium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)C2CN(CC2O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)[C@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H22N2O3S/c1-19(9-13-7-8-24-12-13)16-10-20(11-17(16)21)18(22)14-3-5-15(23-2)6-4-14/h3-8,12,16-17,21H,9-11H2,1-2H3/p+1/t16-,17-/m0/s1