(3R,4R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C19H30N6O+2 MolecularWeight: 358.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C[NH+]2CCC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(N=CN1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H28N6O/c1-15-16(22-14-21-15)12-23-7-5-17(18(26)13-23)24-8-10-25(11-9-24)19-4-2-3-6-20-19/h2-4,6,14,17-18,26H,5,7-13H2,1H3,(H,21,22)/p+2/t17-,18-/m1/s1