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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-isopropoxypropyl)ammonium Formula: C22H41N3O3+2 MolecularWeight: 395.57924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O3/c1-4-24-10-12-25(13-11-24)17-21(26)18-28-22-8-5-7-20(15-22)16-23-9-6-14-27-19(2)3/h5,7-8,15,19,21,23,26H,4,6,9-14,16-18H2,1-3H3/p+2/t21-/m0/s1