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

Systemtic Name: methyl-[(3S,4S)-1-[(2-methylphenyl)carbamoyl]-4-oxidanyl-pyrrolidin-3-yl]-(quinolin-4-ylmethyl)azanium Openeye Name: [(3S,4S)-4-hydroxy-1-(o-tolylcarbamoyl)pyrrolidin-3-yl]-methyl-(4-quinolylmethyl)ammonium CAS Name: [(3S,4S)-4-hydroxy-1-[(2-methylanilino)-oxomethyl]-3-pyrrolidinyl]-methyl-(4-quinolinylmethyl)ammonium IUPAC Name: [(3S,4S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidin-3-yl]-methyl-(quinolin-4-ylmethyl)azanium Traditional Name: [(3S,4S)-4-hydroxy-1-(o-tolylcarbamoyl)pyrrolidin-3-yl]-methyl-(4-quinolylmethyl)ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CC(C(C2)O)[NH+](C)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2C[C@@H]([C@H](C2)O)[NH+](C)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C23H26N4O2/c1-16-7-3-5-9-19(16)25-23(29)27-14-21(22(28)15-27)26(2)13-17-11-12-24-20-10-6-4-8-18(17)20/h3-12,21-22,28H,13-15H2,1-2H3,(H,25,29)/p+1/t21-,22-/m0/s1