(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]azanium

Systemtic Name: (2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]azanium Openeye Name: [(2S)-4-benzylmorpholin-4-ium-2-yl]methyl-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]ammonium CAS Name: (2-bromo-5-hydroxy-4-methoxyphenyl)methyl-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]ammonium IUPAC Name: [(2S)-4-benzylmorpholin-4-ium-2-yl]methyl-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-4-benzylmorpholin-4-ium-2-yl]methyl-(2-bromo-5-hydroxy-4-methoxy-benzyl)ammonium Formula: C20H27BrN2O3+2 MolecularWeight: 423.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C[NH2+]CC2C[NH+](CCO2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)C[NH2+]C[C@H]2C[NH+](CCO2)CC3=CC=CC=C3)O

InChI

InChI=1S/C20H25BrN2O3/c1-25-20-10-18(21)16(9-19(20)24)11-22-12-17-14-23(7-8-26-17)13-15-5-3-2-4-6-15/h2-6,9-10,17,22,24H,7-8,11-14H2,1H3/p+2/t17-/m0/s1