[4-[(6-chloranylpyridin-3-yl)methyl]-1,4-diazepan-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(6-chloranylpyridin-3-yl)methyl]-1,4-diazepan-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(6-chloro-3-pyridyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(6-chloro-3-pyridinyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenylmethanone IUPAC Name: [4-[(6-chloropyridin-3-yl)methyl]-1,4-diazepan-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(6-chloro-3-pyridyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenyl-methanone Formula: C18H21ClN3O+ MolecularWeight: 330.83184

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2)CC3=CN=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2)CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3O/c19-17-8-7-15(13-20-17)14-21-9-4-10-22(12-11-21)18(23)16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14H2/p+1