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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-ol Formula: C18H34N4O+2 MolecularWeight: 322.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C18H32N4O/c1-3-18-19-14(2)15(20-18)12-21-11-8-16(17(23)13-21)22-9-6-4-5-7-10-22/h16-17,23H,3-13H2,1-2H3,(H,19,20)/p+2/t16-,17-/m1/s1