[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-6,7-dimethoxy-quinolin-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium

Systemtic Name: [2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-6,7-dimethoxy-quinolin-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: [2-[(3S)-3-ethoxycarbonyl-1-piperidyl]-6,7-dimethoxy-3-quinolyl]methyl-(isoxazol-3-ylmethyl)ammonium CAS Name: [2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-6,7-dimethoxy-3-quinolinyl]methyl-(3-isoxazolylmethyl)ammonium IUPAC Name: [2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-6,7-dimethoxyquinolin-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [2-[(3S)-3-carbethoxypiperidino]-6,7-dimethoxy-3-quinolyl]methyl-(isoxazol-3-ylmethyl)ammonium Formula: C24H31N4O5+ MolecularWeight: 455.52674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)C[NH2+]CC4=NOC=C4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)C[NH2+]CC4=NOC=C4

InChI

InChI=1S/C24H30N4O5/c1-4-32-24(29)16-6-5-8-28(15-16)23-18(13-25-14-19-7-9-33-27-19)10-17-11-21(30-2)22(31-3)12-20(17)26-23/h7,9-12,16,25H,4-6,8,13-15H2,1-3H3/p+1/t16-/m0/s1