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

Systemtic Name: [3-[(2S)-3-(azepan-1-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-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl]ammonium CAS Name: [3-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonium IUPAC Name: [3-[(2S)-3-(azepan-1-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-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]ammonium Formula: C24H40N2O3+2 MolecularWeight: 404.586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C[NH2+]CC1=CC(=CC=C1)OCC(C[NH+]2CCCCCC2)O)O

Isomeric SMILES

C=CCC(CC=C)(C[NH2+]CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCCCCC2)O)O

InChI

InChI=1S/C24H38N2O3/c1-3-12-24(28,13-4-2)20-25-17-21-10-9-11-23(16-21)29-19-22(27)18-26-14-7-5-6-8-15-26/h3-4,9-11,16,22,25,27-28H,1-2,5-8,12-15,17-20H2/p+2/t22-/m0/s1