(Z)-2,3-dimethyl-4-[(phenylmethyl)azaniumyl]but-2-ene-1-sulfonate

Systemtic Name: (Z)-2,3-dimethyl-4-[(phenylmethyl)azaniumyl]but-2-ene-1-sulfonate Openeye Name: (Z)-4-(benzylammonio)-2,3-dimethyl-but-2-ene-1-sulfonate CAS Name: (Z)-2,3-dimethyl-4-[(phenylmethyl)ammonio]-2-butene-1-sulfonate IUPAC Name: (Z)-4-(benzylazaniumyl)-2,3-dimethylbut-2-ene-1-sulfonate Traditional Name: (Z)-4-(benzylammonio)-2,3-dimethyl-but-2-ene-1-sulfonate Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)CS(=O)(=O)[O-])C[NH2+]CC1=CC=CC=C1

Isomeric SMILES

C/C(=C(\C)/CS(=O)(=O)[O-])/C[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C13H19NO3S/c1-11(12(2)10-18(15,16)17)8-14-9-13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,15,16,17)/b12-11-