(2Z)-6-methyl-2-[2-[(phenylmethyl)azaniumyl]ethylidene]hept-5-ene-1-sulfonate

Systemtic Name: (2Z)-6-methyl-2-[2-[(phenylmethyl)azaniumyl]ethylidene]hept-5-ene-1-sulfonate Openeye Name: (2Z)-2-[2-(benzylammonio)ethylidene]-6-methyl-hept-5-ene-1-sulfonate CAS Name: (2Z)-6-methyl-2-[2-[(phenylmethyl)ammonio]ethylidene]-5-heptene-1-sulfonate IUPAC Name: (2Z)-2-[2-(benzylazaniumyl)ethylidene]-6-methylhept-5-ene-1-sulfonate Traditional Name: (2Z)-2-[2-(benzylammonio)ethylidene]-6-methyl-hept-5-ene-1-sulfonate Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-15(2)7-6-10-17(14-22(19,20)21)11-12-18-13-16-8-4-3-5-9-16/h3-5,7-9,11,18H,6,10,12-14H2,1-2H3,(H,19,20,21)/b17-11-