1-butyl-1-isoquinolin-1-yl-piperidin-1-ium-4-ol

Systemtic Name: 1-butyl-1-isoquinolin-1-yl-piperidin-1-ium-4-ol Openeye Name: 1-butyl-1-(1-isoquinolyl)piperidin-1-ium-4-ol CAS Name: 1-butyl-1-(1-isoquinolinyl)-4-piperidin-1-iumol IUPAC Name: 1-butyl-1-isoquinolin-1-ylpiperidin-1-ium-4-ol Traditional Name: 1-butyl-1-(1-isoquinolyl)piperidin-1-ium-4-ol Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCCC[N+]1(CCC(CC1)O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H25N2O/c1-2-3-12-20(13-9-16(21)10-14-20)18-17-7-5-4-6-15(17)8-11-19-18/h4-8,11,16,21H,2-3,9-10,12-14H2,1H3/q+1