(3R)-3-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]azepan-2-one

Systemtic Name: (3R)-3-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]azepan-2-one Openeye Name: (3R)-3-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]azepan-2-one CAS Name: (3R)-3-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]-2-azepanone IUPAC Name: (3R)-3-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]azepan-2-one Traditional Name: (3R)-3-[4-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)phenoxy]azepan-2-one Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)C3=CC[NH2+]CC3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)OC2=CC=C(C=C2)C3=CC[NH2+]CC3

InChI

InChI=1S/C17H22N2O2/c20-17-16(3-1-2-10-19-17)21-15-6-4-13(5-7-15)14-8-11-18-12-9-14/h4-8,16,18H,1-3,9-12H2,(H,19,20)/p+1/t16-/m1/s1