[2-(3-hexoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-4,6-dimethyl-pyridin-1-ium-3-yl]methylazanium

Systemtic Name: [2-(3-hexoxy-3-oxidanylidene-prop-1-en-2-yl)sulfanyl-4,6-dimethyl-pyridin-1-ium-3-yl]methylazanium Openeye Name: [2-(1-hexoxycarbonylvinylsulfanyl)-4,6-dimethyl-pyridin-1-ium-3-yl]methylammonium CAS Name: [2-[(3-hexoxy-3-oxoprop-1-en-2-yl)thio]-4,6-dimethyl-3-pyridin-1-iumyl]methylammonium IUPAC Name: [2-(3-hexoxy-3-oxoprop-1-en-2-yl)sulfanyl-4,6-dimethylpyridin-1-ium-3-yl]methylazanium Traditional Name: [2-(1-hexoxycarbonylvinylthio)-4,6-dimethyl-pyridin-1-ium-3-yl]methylammonium Formula: C17H28N2O2S+2 MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=C)SC1=C(C(=CC(=[NH+]1)C)C)C[NH3+]

Isomeric SMILES

CCCCCCOC(=O)C(=C)SC1=C(C(=CC(=[NH+]1)C)C)C[NH3+]

InChI

InChI=1S/C17H26N2O2S/c1-5-6-7-8-9-21-17(20)14(4)22-16-15(11-18)12(2)10-13(3)19-16/h10H,4-9,11,18H2,1-3H3/p+2