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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-imidazol-1-ylethyl)-methyl-azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-imidazol-1-ylethyl)-methyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-[2-(1-imidazolyl)ethyl]-methylammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-imidazol-1-ylethyl)-methylazanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-imidazol-1-ylethyl)-methyl-ammonium Formula: C24H40N4O3+2 MolecularWeight: 432.5994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCCCCCC3)O)OC

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCCCCC3)O)OC

InChI

InChI=1S/C24H38N4O3/c1-26(14-15-28-13-10-25-20-28)17-21-8-9-23(24(16-21)30-2)31-19-22(29)18-27-11-6-4-3-5-7-12-27/h8-10,13,16,20,22,29H,3-7,11-12,14-15,17-19H2,1-2H3/p+2/t22-/m1/s1