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1-azanylidene-2-methyl-piperidin-1-ium; 1-[methyl(oxidanyl)phosphoryl]butylphosphonic acid

1-azanylidene-2-methyl-piperidin-1-ium; 1-[methyl(oxidanyl)phosphoryl]butylphosphonic acid

Systemtic Name:1-azanylidene-2-methyl-piperidin-1-ium; 1-[methyl(oxidanyl)phosphoryl]butylphosphonic acid
Openeye Name:1-[hydroxy(methyl)phosphoryl]butylphosphonic acid; 1-imino-2-methyl-piperidin-1-ium
CAS Name:1-[hydroxy(methyl)phosphoryl]butylphosphonic acid; 1-imino-2-methylpiperidin-1-ium
IUPAC Name:1-[hydroxy(methyl)phosphoryl]butylphosphonic acid; 1-imino-2-methylpiperidin-1-ium
Traditional Name:1-[hydroxy(methyl)phosphoryl]butylphosphonic acid; 1-imino-2-methyl-piperidin-1-ium
Formula: C11H27N2O5P2+
MolecularWeight: 329.290002
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(P(=O)(C)O)P(=O)(O)O.CC1CCCC[N+]1=N


Isomeric SMILES

CCCC(P(=O)(C)O)P(=O)(O)O.CC1CCCC[N+]1=N


InChI

InChI=1S/C6H13N2.C5H14O5P2/c1-6-4-2-3-5-8(6)7;1-3-4-5(11(2,6)7)12(8,9)10/h6-7H,2-5H2,1H3;5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,10)/q+1;


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