[3-methoxy-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium

Systemtic Name: [3-methoxy-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium Openeye Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(2-pyrazin-2-ylethyl)ammonium CAS Name: [2-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(2-pyrazinyl)ethyl]ammonium IUPAC Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(2-pyrazin-2-ylethyl)azanium Traditional Name: [2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(2-pyrazin-2-ylethyl)ammonium Formula: C21H32N4O4+2 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CCC3=NC=CN=C3

Isomeric SMILES

COC1=CC=CC(=C1OC[C@H](C[NH+]2CCOCC2)O)C[NH2+]CCC3=NC=CN=C3

InChI

InChI=1S/C21H30N4O4/c1-27-20-4-2-3-17(13-22-6-5-18-14-23-7-8-24-18)21(20)29-16-19(26)15-25-9-11-28-12-10-25/h2-4,7-8,14,19,22,26H,5-6,9-13,15-16H2,1H3/p+2/t19-/m0/s1