[7-chloranyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-3-yl]methyl-cycloheptyl-azanium

Systemtic Name: [7-chloranyl-2-[(3S)-3-oxidanylpiperidin-1-yl]quinolin-3-yl]methyl-cycloheptyl-azanium Openeye Name: [7-chloro-2-[(3S)-3-hydroxy-1-piperidyl]-3-quinolyl]methyl-cycloheptyl-ammonium CAS Name: [7-chloro-2-[(3S)-3-hydroxy-1-piperidinyl]-3-quinolinyl]methyl-cycloheptylammonium IUPAC Name: [7-chloro-2-[(3S)-3-hydroxypiperidin-1-yl]quinolin-3-yl]methyl-cycloheptylazanium Traditional Name: [7-chloro-2-[(3S)-3-hydroxypiperidino]-3-quinolyl]methyl-cycloheptyl-ammonium Formula: C22H31ClN3O+ MolecularWeight: 388.95404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)Cl)N4CCCC(C4)O

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=C(N=C3C=C(C=CC3=C2)Cl)N4CCC[C@@H](C4)O

InChI

InChI=1S/C22H30ClN3O/c23-18-10-9-16-12-17(14-24-19-6-3-1-2-4-7-19)22(25-21(16)13-18)26-11-5-8-20(27)15-26/h9-10,12-13,19-20,24,27H,1-8,11,14-15H2/p+1/t20-/m0/s1