(3S)-3-(2-methylphenyl)-1-[(5-propyl-1,2-oxazol-3-yl)methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-3-(2-methylphenyl)-1-[(5-propyl-1,2-oxazol-3-yl)methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-3-(o-tolyl)-1-[(5-propylisoxazol-3-yl)methyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-3-(2-methylphenyl)-1-[(5-propyl-3-isoxazolyl)methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-3-(2-methylphenyl)-1-[(5-propyl-1,2-oxazol-3-yl)methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-3-(o-tolyl)-1-[(5-propylisoxazol-3-yl)methyl]pyrrolidin-1-ium-3-ol Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NO1)C[NH+]2CCC(C2)(C3=CC=CC=C3C)O

Isomeric SMILES

CCCC1=CC(=NO1)C[NH+]2CC[C@@](C2)(C3=CC=CC=C3C)O

InChI

InChI=1S/C18H24N2O2/c1-3-6-16-11-15(19-22-16)12-20-10-9-18(21,13-20)17-8-5-4-7-14(17)2/h4-5,7-8,11,21H,3,6,9-10,12-13H2,1-2H3/p+1/t18-/m1/s1