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

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[[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-(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C24H41N3O3+2 MolecularWeight: 419.60064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O3/c1-4-10-24(29,11-5-2)20-25-17-21-8-7-9-23(16-21)30-19-22(28)18-27-14-12-26(6-3)13-15-27/h4-5,7-9,16,22,25,28-29H,1-2,6,10-15,17-20H2,3H3/p+2/t22-/m0/s1