(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2,3-dimethyl-4-imidazolyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-1-ium-3-ol Formula: C17H32N4O+2 MolecularWeight: 308.46218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CC1=NC=C(N1C)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C17H30N4O/c1-14-18-11-15(19(14)2)12-20-10-7-16(17(22)13-20)21-8-5-3-4-6-9-21/h11,16-17,22H,3-10,12-13H2,1-2H3/p+2/t16-,17-/m1/s1