(5Z)-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-imidazol-1-ium-1-amine; methanesulfonate

Systemtic Name: (5Z)-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-imidazol-1-ium-1-amine; methanesulfonate Openeye Name: (5Z)-5-[(4-dimethylaminophenyl)methylene]-2-isopropyl-imidazol-1-ium-1-amine; methanesulfonate CAS Name: (5Z)-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-yl-1-imidazol-1-iumamine; methanesulfonate IUPAC Name: (5Z)-5-[(4-dimethylaminophenyl)methylidene]-2-propan-2-ylimidazol-1-ium-1-amine; methanesulfonate Traditional Name: [4-[(Z)-(3-amino-2-isopropyl-imidazol-3-ium-4-ylidene)methyl]phenyl]-dimethyl-amine mesylate Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=CC2=CC=C(C=C2)N(C)C)C=N1)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C1=[N+](/C(=C\C2=CC=C(C=C2)N(C)C)/C=N1)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H21N4.CH4O3S/c1-11(2)15-17-10-14(19(15)16)9-12-5-7-13(8-6-12)18(3)4;1-5(2,3)4/h5-11H,16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1