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

Systemtic Name: thiophen-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-(3-thienylmethyl)ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-5,6,7-trimethoxy-3-quinolinyl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]-5,6,7-trimethoxyquinolin-3-yl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]-5,6,7-trimethoxy-3-quinolyl]methyl-(3-thenyl)ammonium Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-28-20-10-19-18(21(29-2)22(20)30-3)9-16(12-24-11-15-6-8-31-14-15)23(25-19)26-7-4-5-17(27)13-26/h6,8-10,14,17,24,27H,4-5,7,11-13H2,1-3H3/p+1/t17-/m0/s1