(3R,4R)-4-(azepan-1-ium-1-yl)-1-(cyclohexylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(cyclohexylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(cyclohexylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(cyclohexylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(cyclohexylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(cyclohexylmethyl)piperidin-1-ium-3-ol Formula: C18H36N2O+2 MolecularWeight: 296.49124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3CCCCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3CCCCC3

InChI

InChI=1S/C18H34N2O/c21-18-15-19(14-16-8-4-3-5-9-16)13-10-17(18)20-11-6-1-2-7-12-20/h16-18,21H,1-15H2/p+2/t17-,18-/m1/s1