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

Systemtic Name: [7-chloranyl-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]quinolin-3-yl]methyl-[(1-oxidanylcyclohexyl)methyl]azanium Openeye Name: [7-chloro-2-[(3S)-3-ethoxycarbonyl-1-piperidyl]-3-quinolyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium CAS Name: [7-chloro-2-[(3S)-3-ethoxycarbonyl-1-piperidinyl]-3-quinolinyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium IUPAC Name: [7-chloro-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]quinolin-3-yl]methyl-[(1-hydroxycyclohexyl)methyl]azanium Traditional Name: [2-[(3S)-3-carbethoxypiperidino]-7-chloro-3-quinolyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium Formula: C25H35ClN3O3+ MolecularWeight: 461.0167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]CC4(CCCCC4)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]CC4(CCCCC4)O

InChI

InChI=1S/C25H34ClN3O3/c1-2-32-24(30)19-7-6-12-29(16-19)23-20(13-18-8-9-21(26)14-22(18)28-23)15-27-17-25(31)10-4-3-5-11-25/h8-9,13-14,19,27,31H,2-7,10-12,15-17H2,1H3/p+1/t19-/m0/s1