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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-ethyl-(2-methylprop-2-enyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-ethyl-(2-methylallyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-ethyl-(2-methylallyl)ammonium Formula: C24H42N2O3+2 MolecularWeight: 406.60188

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC)CC(=C)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCCC2)O)OC)CC(=C)C

InChI

InChI=1S/C24H40N2O3/c1-5-25(16-20(2)3)17-21-11-12-23(24(15-21)28-4)29-19-22(27)18-26-13-9-7-6-8-10-14-26/h11-12,15,22,27H,2,5-10,13-14,16-19H2,1,3-4H3/p+2/t22-/m1/s1