cyclohexyl-methyl-[(2S)-3-[2-[[(1-methylimidazol-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[2-[[(1-methylimidazol-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-methylimidazol-2-yl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-methyl-2-imidazolyl)methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-methylimidazol-2-yl)methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-methylimidazol-2-yl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH2+]CC2=CC=CC=C2OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CN1C=CN=C1C[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C22H34N4O2/c1-25-13-12-24-22(25)15-23-14-18-8-6-7-11-21(18)28-17-20(27)16-26(2)19-9-4-3-5-10-19/h6-8,11-13,19-20,23,27H,3-5,9-10,14-17H2,1-2H3/p+2/t20-/m0/s1