4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile

Systemtic Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile Openeye Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile CAS Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile IUPAC Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butanenitrile Traditional Name: 4-(2,3,3-trimethyl-4H-isoquinolin-2-ium-1-yl)butyronitrile Formula: C16H21N2+ MolecularWeight: 241.35134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[N+]1C)CCCC#N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[N+]1C)CCCC#N)C

InChI

InChI=1S/C16H21N2/c1-16(2)12-13-8-4-5-9-14(13)15(18(16)3)10-6-7-11-17/h4-5,8-9H,6-7,10,12H2,1-3H3/q+1