5-chloranyl-7-[phenyl(piperidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-chloranyl-7-[phenyl(piperidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol Openeye Name: 5-chloro-7-[phenyl(piperidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol CAS Name: 5-chloro-7-[phenyl(1-piperidin-1-iumyl)methyl]-8-quinolin-1-iumol IUPAC Name: 5-chloro-7-[phenyl(piperidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol Traditional Name: 5-chloro-7-[phenyl(piperidin-1-ium-1-yl)methyl]quinolin-1-ium-8-ol Formula: C21H23ClN2O+2 MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

Isomeric SMILES

C1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

InChI

InChI=1S/C21H21ClN2O/c22-18-14-17(21(25)19-16(18)10-7-11-23-19)20(15-8-3-1-4-9-15)24-12-5-2-6-13-24/h1,3-4,7-11,14,20,25H,2,5-6,12-13H2/p+2