[3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-methyl-pentyl-(phenylmethyl)azanium

Systemtic Name: [3,4-bis(oxidanyl)-4-oxidanylidene-3-phosphono-butyl]-methyl-pentyl-(phenylmethyl)azanium Openeye Name: benzyl-(3,4-dihydroxy-4-oxo-3-phosphono-butyl)-methyl-pentyl-ammonium CAS Name: (3,4-dihydroxy-4-oxo-3-phosphonobutyl)-methyl-pentyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(3,4-dihydroxy-4-oxo-3-phosphonobutyl)-methyl-pentylazanium Traditional Name: amyl-benzyl-(3,4-dihydroxy-4-keto-3-phosphono-butyl)-methyl-ammonium Formula: C17H29NO6P+ MolecularWeight: 374.389021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CCC(C(=O)O)(O)P(=O)(O)O)CC1=CC=CC=C1

Isomeric SMILES

CCCCC[N+](C)(CCC(C(=O)O)(O)P(=O)(O)O)CC1=CC=CC=C1

InChI

InChI=1S/C17H28NO6P/c1-3-4-8-12-18(2,14-15-9-6-5-7-10-15)13-11-17(21,16(19)20)25(22,23)24/h5-7,9-10,21H,3-4,8,11-14H2,1-2H3,(H2-,19,20,22,23,24)/p+1