methyl-[3-[[(2R,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[[(2R,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[(2R,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[(2R,4R)-4-hydroxypyrrolidin-1-ium-2-carbonyl]amino]propyl]-methyl-ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CC(C[NH2+]1)O)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)[C@H]1C[C@H](C[NH2+]1)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O2/c1-19(12-13-6-3-2-4-7-13)9-5-8-17-16(21)15-10-14(20)11-18-15/h2-4,6-7,14-15,18,20H,5,8-12H2,1H3,(H,17,21)/p+2/t14-,15-/m1/s1