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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[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-bis(prop-2-enyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C22H37N3O2+2 MolecularWeight: 375.54808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O2/c1-4-10-24(11-5-2)17-20-8-7-9-22(16-20)27-19-21(26)18-25-14-12-23(6-3)13-15-25/h4-5,7-9,16,21,26H,1-2,6,10-15,17-19H2,3H3/p+2/t21-/m0/s1