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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-benzyl-methyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-benzyl-methylazanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-benzyl-methyl-ammonium Formula: C26H40N2O3+2 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCCCCCC3)O)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCCCCC3)O)OC

InChI

InChI=1S/C26H38N2O3/c1-27(18-22-11-7-6-8-12-22)19-23-13-14-25(26(17-23)30-2)31-21-24(29)20-28-15-9-4-3-5-10-16-28/h6-8,11-14,17,24,29H,3-5,9-10,15-16,18-21H2,1-2H3/p+2/t24-/m1/s1