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

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[2-[[(5-methylpyrazin-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methylpyrazin-2-yl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methyl-2-pyrazinyl)methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methylpyrazin-2-yl)methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(5-methylpyrazin-2-yl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H36N4O2+2 MolecularWeight: 400.55754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)C[NH2+]CC2=CC=CC=C2OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CC1=CN=C(C=N1)C[NH2+]CC2=CC=CC=C2OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C23H34N4O2/c1-18-12-26-20(15-25-18)14-24-13-19-8-6-7-11-23(19)29-17-22(28)16-27(2)21-9-4-3-5-10-21/h6-8,11-12,15,21-22,24,28H,3-5,9-10,13-14,16-17H2,1-2H3/p+2/t22-/m0/s1