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

Systemtic Name: [2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-6,7-dimethoxy-quinolin-3-yl]methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[(3S)-3-ethoxycarbonyl-1-piperidyl]-6,7-dimethoxy-3-quinolyl]methyl-(3-thienylmethyl)ammonium CAS Name: [2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-6,7-dimethoxy-3-quinolinyl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-6,7-dimethoxyquinolin-3-yl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[(3S)-3-carbethoxypiperidino]-6,7-dimethoxy-3-quinolyl]methyl-(3-thenyl)ammonium Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-4-32-25(29)18-6-5-8-28(15-18)24-20(14-26-13-17-7-9-33-16-17)10-19-11-22(30-2)23(31-3)12-21(19)27-24/h7,9-12,16,18,26H,4-6,8,13-15H2,1-3H3/p+1/t18-/m0/s1