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

Systemtic Name: [3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-propargyl-ammonium Formula: C21H32N2O4+2 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH+](CC=C)CC#C

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH+](CC=C)CC#C

InChI

InChI=1S/C21H30N2O4/c1-4-9-22(10-5-2)15-18-7-6-8-20(25-3)21(18)27-17-19(24)16-23-11-13-26-14-12-23/h1,5-8,19,24H,2,9-17H2,3H3/p+2/t19-/m1/s1