[1-(2-azanylethyl)-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]piperidin-2-yl]oxy-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [1-(2-azanylethyl)-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]piperidin-2-yl]oxy-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-(2-aminoethyl)-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]-2-piperidyl]oxy-hydroxy-oxo-phosphonium CAS Name: [1-(2-aminoethyl)-4-carboxy-4-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]-2-piperidinyl]oxy-hydroxy-oxophosphonium IUPAC Name: [1-(2-aminoethyl)-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]piperidin-2-yl]oxy-hydroxy-oxophosphanium Traditional Name: [1-(2-aminoethyl)-4-carboxy-4-[1-(hydrocinnamoylamino)-2-methyl-propyl]-2-piperidyl]oxy-hydroxy-keto-phosphonium Formula: C21H33N3O6P+ MolecularWeight: 454.476981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1(CCN(C(C1)O[P+](=O)O)CCN)C(=O)O)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C1(CCN(C(C1)O[P+](=O)O)CCN)C(=O)O)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H32N3O6P/c1-15(2)19(23-17(25)9-8-16-6-4-3-5-7-16)21(20(26)27)10-12-24(13-11-22)18(14-21)30-31(28)29/h3-7,15,18-19H,8-14,22H2,1-2H3,(H2-,23,25,26,27,28,29)/p+1