diethyl-[(3S)-1-[[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]pyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]carbonyl]pyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[5-(6-quinolyloxymethyl)isoxazole-3-carbonyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[oxo-[5-(6-quinolinyloxymethyl)-3-isoxazolyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[5-(6-quinolyloxymethyl)isoxazole-3-carbonyl]pyrrolidin-3-yl]ammonium Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=NOC(=C2)COC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C22H26N4O3/c1-3-25(4-2)17-9-11-26(14-17)22(27)21-13-19(29-24-21)15-28-18-7-8-20-16(12-18)6-5-10-23-20/h5-8,10,12-13,17H,3-4,9,11,14-15H2,1-2H3/p+1/t17-/m0/s1