cyclohexyl-[(2S)-3-[3-[[(2-methoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[3-[[(2-methoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-methoxy-2-oxo-ethyl)-methyl-ammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-methoxy-2-oxoethyl)-methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-methoxy-2-oxoethyl)-methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-keto-2-methoxy-ethyl)-methyl-ammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C21H36N2O4+2 MolecularWeight: 380.52154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCC(C[NH+](C)C2CCCCC2)O)CC(=O)OC

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@H](C[NH+](C)C2CCCCC2)O)CC(=O)OC

InChI

InChI=1S/C21H34N2O4/c1-22(15-21(25)26-3)13-17-8-7-11-20(12-17)27-16-19(24)14-23(2)18-9-5-4-6-10-18/h7-8,11-12,18-19,24H,4-6,9-10,13-16H2,1-3H3/p+2/t19-/m0/s1