2-(3,5,5-trimethylhexyl)isoquinolin-2-ium

Systemtic Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium Openeye Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium CAS Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium IUPAC Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium Traditional Name: 2-(3,5,5-trimethylhexyl)isoquinolin-2-ium Formula: C18H26N+ MolecularWeight: 256.40574

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1=CC2=CC=CC=C2C=C1)CC(C)(C)C

Isomeric SMILES

CC(CC[N+]1=CC2=CC=CC=C2C=C1)CC(C)(C)C

InChI

InChI=1S/C18H26N/c1-15(13-18(2,3)4)9-11-19-12-10-16-7-5-6-8-17(16)14-19/h5-8,10,12,14-15H,9,11,13H2,1-4H3/q+1