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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-bis(prop-2-enyl)azanium Openeye Name: diallyl-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-bis(prop-2-enyl)ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-bis(prop-2-enyl)azanium Traditional Name: diallyl-[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]ammonium Formula: C24H40N2O3+2 MolecularWeight: 404.586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC=C)CC=C)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC=C)CC=C)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C24H38N2O3/c1-4-13-25(14-5-2)18-21-11-12-23(28-3)24(17-21)29-20-22(27)19-26-15-9-7-6-8-10-16-26/h4-5,11-12,17,22,27H,1-2,6-10,13-16,18-20H2,3H3/p+2/t22-/m1/s1