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

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-phenyloxazol-4-yl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(2-phenyl-4-oxazolyl)methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(2-phenyloxazol-4-yl)methyl]piperidin-3-ol Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2O)CC3=COC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CCN(C[C@H]2O)CC3=COC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N3O2/c25-20-15-23(13-10-19(20)24-11-6-1-2-7-12-24)14-18-16-26-21(22-18)17-8-4-3-5-9-17/h3-5,8-9,16,19-20,25H,1-2,6-7,10-15H2/p+1/t19-,20-/m1/s1