cyclohexyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: cyclohexyl-[[3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl]azanium Traditional Name: cyclohexyl-[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C22H39N3O2+2 MolecularWeight: 377.56396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCCCC3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCCCC3)O

InChI

InChI=1S/C22H37N3O2/c1-2-24-11-13-25(14-12-24)17-21(26)18-27-22-10-6-7-19(15-22)16-23-20-8-4-3-5-9-20/h6-7,10,15,20-21,23,26H,2-5,8-9,11-14,16-18H2,1H3/p+2/t21-/m0/s1