N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N,N-diethyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N,N-diethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: diethyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]amine tosylate Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H23N2.C7H8O3S/c1-4-20(5-2)18-10-8-16(9-11-18)6-7-17-12-14-19(3)15-13-17;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1