(3R,4R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C22H37N6O+3 MolecularWeight: 401.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCC(C(C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C22H34N6O/c1-4-28-18(3)19(17(2)24-28)15-25-10-8-20(21(29)16-25)26-11-13-27(14-12-26)22-7-5-6-9-23-22/h5-7,9,20-21,29H,4,8,10-16H2,1-3H3/p+3/t20-,21-/m1/s1