N-[bis(diethoxyphosphoryl)methyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butan-1-amine

Systemtic Name: N-[bis(diethoxyphosphoryl)methyl]-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-butan-1-amine Openeye Name: N-[bis(diethoxyphosphoryl)methyl]-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-butan-1-amine CAS Name: N-[bis(diethoxyphosphoryl)methyl]-4-[(1-oxido-2-pyridin-1-iumyl)thio]-1-butanamine IUPAC Name: N-[bis(diethoxyphosphoryl)methyl]-4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutan-1-amine Traditional Name: bis(diethoxyphosphoryl)methyl-[4-[(1-oxidopyridin-1-ium-2-yl)thio]butyl]amine Formula: C18H34N2O7P2S MolecularWeight: 484.484282

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(NCCCCSC1=CC=CC=[N+]1[O-])P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(NCCCCSC1=CC=CC=[N+]1[O-])P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C18H34N2O7P2S/c1-5-24-28(22,25-6-2)18(29(23,26-7-3)27-8-4)19-14-10-12-16-30-17-13-9-11-15-20(17)21/h9,11,13,15,18-19H,5-8,10,12,14,16H2,1-4H3