3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-1-ium-5-ol chloride

Systemtic Name: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-1-ium-5-ol chloride Openeye Name: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-1-ium-5-ol chloride CAS Name: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-1-ium-5-ol chloride IUPAC Name: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-1-ium-5-ol chloride Traditional Name: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-1-ium-5-ol chloride Formula: C23H27ClN2O MolecularWeight: 382.92628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)CCCCC3=C[NH2+]C4=C3C=C(C=C4)O.[Cl-]

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)CCCCC3=C[NH2+]C4=C3C=C(C=C4)O.[Cl-]

InChI

InChI=1S/C23H26N2O.ClH/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2;1H