2-(1H-imidazol-5-yl)ethyl-[[3-methoxy-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl-[[3-methoxy-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[2-(1H-imidazol-5-yl)ethyl]azanium Traditional Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[2-(1H-imidazol-5-yl)ethyl]ammonium Formula: C20H32N4O4+2 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCC3=CN=CN3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@H](C[NH+]2CCOCC2)O)C[NH2+]CCC3=CN=CN3

InChI

InChI=1S/C20H30N4O4/c1-26-19-4-2-3-16(11-21-6-5-17-12-22-15-23-17)20(19)28-14-18(25)13-24-7-9-27-10-8-24/h2-4,12,15,18,21,25H,5-11,13-14H2,1H3,(H,22,23)/p+2/t18-/m0/s1