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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-prop-2-enylammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-prop-2-enylazanium Traditional Name: allyl-[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C19H33N3O2+2 MolecularWeight: 335.48422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2/c1-3-8-20-14-17-6-5-7-19(13-17)24-16-18(23)15-22-11-9-21(4-2)10-12-22/h3,5-7,13,18,20,23H,1,4,8-12,14-16H2,2H3/p+2/t18-/m0/s1