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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-methyl-5-pyrimidinyl)methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-3-ol Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)CN2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CC1=NC=C(C=N1)CN2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C17H28N4O/c1-14-18-10-15(11-19-14)12-20-9-6-16(17(22)13-20)21-7-4-2-3-5-8-21/h10-11,16-17,22H,2-9,12-13H2,1H3/p+1/t16-,17-/m1/s1