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

Systemtic Name: 2-methylpropyl-[[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-isobutyl-ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-5,6,7-trimethoxy-3-quinolinyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]-5,6,7-trimethoxyquinolin-3-yl]methyl-(2-methylpropyl)azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]-5,6,7-trimethoxy-3-quinolyl]methyl-isobutyl-ammonium Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=C(N=C2C=C(C(=C(C2=C1)OC)OC)OC)N3CCCC(C3)O

Isomeric SMILES

CC(C)C[NH2+]CC1=C(N=C2C=C(C(=C(C2=C1)OC)OC)OC)N3CCC[C@@H](C3)O

InChI

InChI=1S/C22H33N3O4/c1-14(2)11-23-12-15-9-17-18(10-19(27-3)21(29-5)20(17)28-4)24-22(15)25-8-6-7-16(26)13-25/h9-10,14,16,23,26H,6-8,11-13H2,1-5H3/p+1/t16-/m0/s1