(1-ethylpyrazol-4-yl)methyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[[3-methoxy-4-[(2S)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[[4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[[4-[(2S)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[[4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[4-[(2S)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C21H34N4O3S+2 MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OC[C@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C21H32N4O3S/c1-3-25-14-18(13-23-25)12-22-11-17-4-5-20(21(10-17)27-2)28-16-19(26)15-24-6-8-29-9-7-24/h4-5,10,13-14,19,22,26H,3,6-9,11-12,15-16H2,1-2H3/p+2/t19-/m0/s1