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

Systemtic Name: methyl-[(3S,4S)-1-[(2-methylphenyl)carbamoyl]-4-oxidanyl-pyrrolidin-3-yl]-(pyrazin-2-ylmethyl)azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(o-tolylcarbamoyl)pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(2-methylanilino)-oxomethyl]-3-pyrrolidinyl]-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [(3S,4S)-4-hydroxy-1-(o-tolylcarbamoyl)pyrrolidin-3-yl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C18H24N5O2+ MolecularWeight: 342.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CC(C(C2)O)[NH+](C)CC3=NC=CN=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2C[C@@H]([C@H](C2)O)[NH+](C)CC3=NC=CN=C3

InChI

InChI=1S/C18H23N5O2/c1-13-5-3-4-6-15(13)21-18(25)23-11-16(17(24)12-23)22(2)10-14-9-19-7-8-20-14/h3-9,16-17,24H,10-12H2,1-2H3,(H,21,25)/p+1/t16-,17-/m0/s1