1,2-oxazol-3-ylmethyl-[[5,6,7-trimethoxy-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-3-yl]methyl]azanium

Systemtic Name: 1,2-oxazol-3-ylmethyl-[[5,6,7-trimethoxy-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-3-yl]methyl]azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]-5,6,7-trimethoxy-3-quinolyl]methyl-(isoxazol-3-ylmethyl)ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-5,6,7-trimethoxy-3-quinolinyl]methyl-(3-isoxazolylmethyl)ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]-5,6,7-trimethoxyquinolin-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]-5,6,7-trimethoxy-3-quinolyl]methyl-(isoxazol-3-ylmethyl)ammonium Formula: C22H29N4O5+ MolecularWeight: 429.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C(=C1OC)OC)C[NH2+]CC3=NOC=C3)N4CCCC(C4)O

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C(=C1OC)OC)C[NH2+]CC3=NOC=C3)N4CCC[C@@H](C4)O

InChI

InChI=1S/C22H28N4O5/c1-28-19-10-18-17(20(29-2)21(19)30-3)9-14(11-23-12-15-6-8-31-25-15)22(24-18)26-7-4-5-16(27)13-26/h6,8-10,16,23,27H,4-5,7,11-13H2,1-3H3/p+1/t16-/m0/s1