diethyl-[(2S)-3-[5-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[5-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-3-[5-[[(1-ethylpyrazol-4-yl)methylammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]ammonium CAS Name: diethyl-[(2S)-3-[5-[[(1-ethyl-4-pyrazolyl)methylammonio]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]ammonium IUPAC Name: diethyl-[(2S)-3-[5-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]azanium Traditional Name: diethyl-[(2S)-3-[5-[[(1-ethylpyrazol-4-yl)methylammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]ammonium Formula: C21H36N4O3+2 MolecularWeight: 392.53554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3/c1-5-24(6-2)15-19(26)16-28-21-10-17(8-9-20(21)27-4)11-22-12-18-13-23-25(7-3)14-18/h8-10,13-14,19,22,26H,5-7,11-12,15-16H2,1-4H3/p+2/t19-/m0/s1