(2S)-1-methyl-N-[(2-phenoxypyridin-3-yl)methyl]azepan-1-ium-2-carboxamide

Systemtic Name: (2S)-1-methyl-N-[(2-phenoxypyridin-3-yl)methyl]azepan-1-ium-2-carboxamide Openeye Name: (2S)-1-methyl-N-[(2-phenoxy-3-pyridyl)methyl]azepan-1-ium-2-carboxamide CAS Name: (2S)-1-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]-2-azepan-1-iumcarboxamide IUPAC Name: (2S)-1-methyl-N-[(2-phenoxypyridin-3-yl)methyl]azepan-1-ium-2-carboxamide Traditional Name: (2S)-1-methyl-N-[(2-phenoxy-3-pyridyl)methyl]azepan-1-ium-2-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCCC[C@H]1C(=O)NCC2=C(N=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-23-14-7-3-6-12-18(23)19(24)22-15-16-9-8-13-21-20(16)25-17-10-4-2-5-11-17/h2,4-5,8-11,13,18H,3,6-7,12,14-15H2,1H3,(H,22,24)/p+1/t18-/m0/s1