[7-chloranyl-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]quinolin-3-yl]methyl-cyclopentyl-azanium

Systemtic Name: [7-chloranyl-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]quinolin-3-yl]methyl-cyclopentyl-azanium Openeye Name: [7-chloro-2-[(3S)-3-ethoxycarbonyl-1-piperidyl]-3-quinolyl]methyl-cyclopentyl-ammonium CAS Name: [7-chloro-2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-3-quinolinyl]methyl-cyclopentylammonium IUPAC Name: [7-chloro-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]quinolin-3-yl]methyl-cyclopentylazanium Traditional Name: [2-[(3S)-3-carbethoxypiperidino]-7-chloro-3-quinolyl]methyl-cyclopentyl-ammonium Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]C4CCCC4

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]C4CCCC4

InChI

InChI=1S/C23H30ClN3O2/c1-2-29-23(28)17-6-5-11-27(15-17)22-18(14-25-20-7-3-4-8-20)12-16-9-10-19(24)13-21(16)26-22/h9-10,12-13,17,20,25H,2-8,11,14-15H2,1H3/p+1/t17-/m0/s1