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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(4-hydroxycyclohexyl)ammonium Formula: C22H39N3O3+2 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCC(CC3)O)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCC(CC3)O)O

InChI

InChI=1S/C22H37N3O3/c1-2-24-10-12-25(13-11-24)16-21(27)17-28-22-5-3-4-18(14-22)15-23-19-6-8-20(26)9-7-19/h3-5,14,19-21,23,26-27H,2,6-13,15-17H2,1H3/p+2/t19?,20?,21-/m0/s1