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

Systemtic Name: [4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]ammonium Formula: C23H38N2O3+2 MolecularWeight: 390.55942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C[NH2+]CC1=CC=C(C=C1)OCC(C[NH+]2CCCCC2)O)O

Isomeric SMILES

C=CCC(CC=C)(C[NH2+]CC1=CC=C(C=C1)OC[C@H](C[NH+]2CCCCC2)O)O

InChI

InChI=1S/C23H36N2O3/c1-3-12-23(27,13-4-2)19-24-16-20-8-10-22(11-9-20)28-18-21(26)17-25-14-6-5-7-15-25/h3-4,8-11,21,24,26-27H,1-2,5-7,12-19H2/p+2/t21-/m0/s1