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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(3-hydroxypropyl)ammonium Formula: C19H35N3O3+2 MolecularWeight: 353.4995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3O3/c1-2-21-8-10-22(11-9-21)15-18(24)16-25-19-6-3-5-17(13-19)14-20-7-4-12-23/h3,5-6,13,18,20,23-24H,2,4,7-12,14-16H2,1H3/p+2/t18-/m0/s1