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

Systemtic Name: [(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3/c1-21(10-14-9-19-7-8-20-14)16-11-22(12-17(16)23)18(24)13-3-5-15(25-2)6-4-13/h3-9,16-17,23H,10-12H2,1-2H3/p+1/t16-,17-/m0/s1