(2R)-1-[4-[[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-[4-[[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-[4-[[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[4-[[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethylamino]methyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[4-[[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[4-[[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N1)CCNCC2=CC=C(C=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=C[NH+]=C(N1)CCNCC2=CC=C(C=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C21H32N4O2/c1-17-13-23-21(24-17)9-10-22-14-18-5-7-20(8-6-18)27-16-19(26)15-25-11-3-2-4-12-25/h5-8,13,19,22,26H,2-4,9-12,14-16H2,1H3,(H,23,24)/p+2/t19-/m1/s1