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

Systemtic Name: (3R,4R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-3-ol CAS Name: (3R,4R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidinol IUPAC Name: (3R,4R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)piperidin-3-ol Formula: C18H35N5O+2 MolecularWeight: 337.5034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCC(C(C2)O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H33N5O/c1-3-4-5-18-19-12-15(20-18)13-22-7-6-16(17(24)14-22)23-10-8-21(2)9-11-23/h12,16-17,24H,3-11,13-14H2,1-2H3,(H,19,20)/p+2/t16-,17-/m1/s1