[1-[(2,2-dimethyl-4-oxidanyl-pentan-3-yl)amino]-1,4-bis(oxidanyl)-4-phenylmethoxy-butan-2-yl]azanium

Systemtic Name: [1-[(2,2-dimethyl-4-oxidanyl-pentan-3-yl)amino]-1,4-bis(oxidanyl)-4-phenylmethoxy-butan-2-yl]azanium Openeye Name: [3-benzyloxy-3-hydroxy-1-[hydroxy-[[1-(1-hydroxyethyl)-2,2-dimethyl-propyl]amino]methyl]propyl]ammonium CAS Name: [1,4-dihydroxy-1-[(4-hydroxy-2,2-dimethylpentan-3-yl)amino]-4-phenylmethoxybutan-2-yl]ammonium IUPAC Name: [1,4-dihydroxy-1-[(4-hydroxy-2,2-dimethylpentan-3-yl)amino]-4-phenylmethoxybutan-2-yl]azanium Traditional Name: [3-benzoxy-3-hydroxy-1-[hydroxy-[[1-(1-hydroxyethyl)-2,2-dimethyl-propyl]amino]methyl]propyl]ammonium Formula: C18H33N2O4+ MolecularWeight: 341.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)(C)C)NC(C(CC(O)OCC1=CC=CC=C1)[NH3+])O)O

Isomeric SMILES

CC(C(C(C)(C)C)NC(C(CC(O)OCC1=CC=CC=C1)[NH3+])O)O

InChI

InChI=1S/C18H32N2O4/c1-12(21)16(18(2,3)4)20-17(23)14(19)10-15(22)24-11-13-8-6-5-7-9-13/h5-9,12,14-17,20-23H,10-11,19H2,1-4H3/p+1