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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-(2-methylallyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-(2-methylallyl)ammonium Formula: C23H40N2O3+2 MolecularWeight: 392.5753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O3/c1-19(2)15-24(3)16-20-10-11-22(23(14-20)27-4)28-18-21(26)17-25-12-8-6-5-7-9-13-25/h10-11,14,21,26H,1,5-9,12-13,15-18H2,2-4H3/p+2/t21-/m1/s1