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

Systemtic Name: cyclobutyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclobutyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: cyclobutyl-[[3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl]ammonium IUPAC Name: cyclobutyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl]azanium Traditional Name: cyclobutyl-[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C20H35N3O2+2 MolecularWeight: 349.5108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]C3CCC3)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]C3CCC3)O

InChI

InChI=1S/C20H33N3O2/c1-2-22-9-11-23(12-10-22)15-19(24)16-25-20-8-3-5-17(13-20)14-21-18-6-4-7-18/h3,5,8,13,18-19,21,24H,2,4,6-7,9-12,14-16H2,1H3/p+2/t19-/m0/s1