cycloheptyl-[[3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: cycloheptyl-[[3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cycloheptyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cycloheptyl-[[2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cycloheptyl-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C22H38N2O4+2 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]C3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]C3CCCCCC3

InChI

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