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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-methyl-propyl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-methyl-propyl)ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxy-2-methylpropyl)ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxy-2-methylpropyl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-methoxy-2-methyl-propyl)ammonium Formula: C22H40N2O4+2 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCC2)O)OC)OC

Isomeric SMILES

CC(C)(C[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCC2)O)OC)OC

InChI

InChI=1S/C22H38N2O4/c1-22(2,27-4)17-23-14-18-9-10-20(21(13-18)26-3)28-16-19(25)15-24-11-7-5-6-8-12-24/h9-10,13,19,23,25H,5-8,11-12,14-17H2,1-4H3/p+2/t19-/m1/s1