methanesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]pyridin-1-ium-4-amine

Systemtic Name: methanesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]pyridin-1-ium-4-amine Openeye Name: methanesulfonate; N,N,1-trimethyl-2-[(E)-styryl]pyridin-1-ium-4-amine CAS Name: methanesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]-4-pyridin-1-iumamine IUPAC Name: methanesulfonate; N,N,1-trimethyl-2-[(E)-2-phenylethenyl]pyridin-1-ium-4-amine Traditional Name: dimethyl-[1-methyl-2-[(E)-styryl]pyridin-1-ium-4-yl]amine mesylate Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C=C1)N(C)C)C=CC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=C(C=C1)N(C)C)/C=C/C2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H19N2.CH4O3S/c1-17(2)15-11-12-18(3)16(13-15)10-9-14-7-5-4-6-8-14;1-5(2,3)4/h4-13H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b10-9+;