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

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

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=CC=CS4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C3C=C(C(=CC3=N2)OC)OC)C[NH2+]CC4=CC=CS4

InChI

InChI=1S/C25H31N3O4S/c1-4-32-25(29)17-7-5-9-28(16-17)24-19(14-26-15-20-8-6-10-33-20)11-18-12-22(30-2)23(31-3)13-21(18)27-24/h6,8,10-13,17,26H,4-5,7,9,14-16H2,1-3H3/p+1/t17-/m0/s1