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

Systemtic Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-methoxyethyl)-methyl-azanium Openeye Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-methoxyethyl)-methyl-ammonium CAS Name: [4-[(2S)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxyethyl)-methylammonium IUPAC Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxyethyl)-methylazanium Traditional Name: [4-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-methoxyethyl)-methyl-ammonium Formula: C22H40N2O4+2 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N2O4/c1-23(13-14-26-2)16-19-9-10-21(22(15-19)27-3)28-18-20(25)17-24-11-7-5-4-6-8-12-24/h9-10,15,20,25H,4-8,11-14,16-18H2,1-3H3/p+2/t20-/m0/s1