2-imidazol-1-ylethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-imidazol-1-ylethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-imidazol-1-ylethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(1-imidazolyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-imidazol-1-ylethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(2-imidazol-1-ylethyl)ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCN2C=CN=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCN2C=CN=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C21H32N4O3/c1-27-20-6-5-18(14-22-7-11-25-12-8-23-17-25)13-21(20)28-16-19(26)15-24-9-3-2-4-10-24/h5-6,8,12-13,17,19,22,26H,2-4,7,9-11,14-16H2,1H3/p+2/t19-/m1/s1