(3S)-N-(1,3-benzodioxol-5-yl)-1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(6-chloranylquinolin-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-2-quinolinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(6-chloro-2-quinolyl)methyl]piperidin-1-ium-3-yl]amine Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=C(C=C2)C=C(C=C3)Cl)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=C(C=C2)C=C(C=C3)Cl)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22ClN3O2/c23-16-4-7-20-15(10-16)3-5-19(25-20)13-26-9-1-2-18(12-26)24-17-6-8-21-22(11-17)28-14-27-21/h3-8,10-11,18,24H,1-2,9,12-14H2/p+1/t18-/m0/s1