3,5-dimethyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide

Systemtic Name: 3,5-dimethyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide Openeye Name: 3,5-dimethyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide CAS Name: 3,5-dimethyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide IUPAC Name: 3,5-dimethyl-1-[(1-prop-2-ynyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide Traditional Name: 3,5-dimethyl-1-[(1-propargyl-3,4-dihydronaphthalen-2-yl)methyl]pyridin-1-ium bromide Formula: C21H22BrN MolecularWeight: 368.31008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)CC2=C(C3=CC=CC=C3CC2)CC#C)C.[Br-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)CC2=C(C3=CC=CC=C3CC2)CC#C)C.[Br-]

InChI

InChI=1S/C21H22N.BrH/c1-4-7-20-19(11-10-18-8-5-6-9-21(18)20)15-22-13-16(2)12-17(3)14-22;/h1,5-6,8-9,12-14H,7,10-11,15H2,2-3H3;1H/q+1;/p-1