[3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazol-1-ylethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazol-1-ylethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(2-pyrazol-1-ylethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(2-pyrazol-1-ylethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(2-pyrazol-1-ylethyl)ammonium Formula: C20H32N4O4+2 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCN2C=CC=N2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCN2C=CC=N2)OC[C@@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C20H30N4O4/c1-26-20-13-17(14-21-6-8-24-7-2-5-22-24)3-4-19(20)28-16-18(25)15-23-9-11-27-12-10-23/h2-5,7,13,18,21,25H,6,8-12,14-16H2,1H3/p+2/t18-/m1/s1