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

Systemtic Name: [4-methoxy-2-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[2-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-propargyl-ammonium Formula: C21H32N2O3+2 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-4-10-22(11-5-2)15-18-8-9-20(25-3)14-21(18)26-17-19(24)16-23-12-6-7-13-23/h1,5,8-9,14,19,24H,2,6-7,10-13,15-17H2,3H3/p+2/t19-/m1/s1