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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(4-pyridylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(4-pyridylmethyl)piperidin-1-ium-3-ol Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC=NC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=NC=C3

InChI

InChI=1S/C17H27N3O/c21-17-14-19(13-15-5-8-18-9-6-15)12-7-16(17)20-10-3-1-2-4-11-20/h5-6,8-9,16-17,21H,1-4,7,10-14H2/p+2/t16-,17-/m1/s1