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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-propan-2-yloxyethyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(2-isopropoxyethyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-(2-propan-2-yloxyethyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(2-propan-2-yloxyethyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-isopropoxyethyl)ammonium Formula: C21H39N3O3+2 MolecularWeight: 381.55266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3/c1-4-23-9-11-24(12-10-23)16-20(25)17-27-21-7-5-6-19(14-21)15-22-8-13-26-18(2)3/h5-7,14,18,20,22,25H,4,8-13,15-17H2,1-3H3/p+2/t20-/m0/s1