[4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-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)-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[[3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C23H38N2O4+2 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC(CC=C)(CC=C)O)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC(CC=C)(CC=C)O)OC[C@@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C23H36N2O4/c1-4-10-23(27,11-5-2)18-24-15-19-8-9-21(28-3)22(14-19)29-17-20(26)16-25-12-6-7-13-25/h4-5,8-9,14,20,24,26-27H,1-2,6-7,10-13,15-18H2,3H3/p+2/t20-/m1/s1