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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(oxan-4-yl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-tetrahydropyran-4-yl-ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(4-oxanyl)ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(oxan-4-yl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-tetrahydropyran-4-yl-ammonium Formula: C22H38N2O4+2 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCOCC2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCOCC2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C22H36N2O4/c1-26-22-14-18(15-23-19-8-12-27-13-9-19)6-7-21(22)28-17-20(25)16-24-10-4-2-3-5-11-24/h6-7,14,19-20,23,25H,2-5,8-13,15-17H2,1H3/p+2/t20-/m1/s1