cyclohexyl-methyl-[(2S)-3-[2-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[2-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methyl-2-thienyl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methyl-2-thiophenyl)methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methyl-2-thienyl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H36N2O2S+2 MolecularWeight: 404.60914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH2+]CC2=CC=CC=C2OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CC1=CC=C(S1)C[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C23H34N2O2S/c1-18-12-13-22(28-18)15-24-14-19-8-6-7-11-23(19)27-17-21(26)16-25(2)20-9-4-3-5-10-20/h6-8,11-13,20-21,24,26H,3-5,9-10,14-17H2,1-2H3/p+2/t21-/m0/s1