2-methyl-5-phenyl-3-prop-2-ynyl-1H-indol-1-ium bromide

Systemtic Name: 2-methyl-5-phenyl-3-prop-2-ynyl-1H-indol-1-ium bromide Openeye Name: 2-methyl-5-phenyl-3-prop-2-ynyl-1H-indol-1-ium bromide CAS Name: 2-methyl-5-phenyl-3-prop-2-ynyl-1H-indol-1-ium bromide IUPAC Name: 2-methyl-5-phenyl-3-prop-2-ynyl-1H-indol-1-ium bromide Traditional Name: 2-methyl-5-phenyl-3-propargyl-1H-indol-1-ium bromide Formula: C18H16BrN MolecularWeight: 326.23034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([NH2+]1)C=CC(=C2)C3=CC=CC=C3)CC#C.[Br-]

Isomeric SMILES

CC1=C(C2=C([NH2+]1)C=CC(=C2)C3=CC=CC=C3)CC#C.[Br-]

InChI

InChI=1S/C18H15N.BrH/c1-3-7-16-13(2)19-18-11-10-15(12-17(16)18)14-8-5-4-6-9-14;/h1,4-6,8-12,19H,7H2,2H3;1H