4-chloranyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-chloro-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]benzamide CAS Name: 4-chloro-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]benzamide IUPAC Name: 4-chloro-N-[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-oxoethyl]benzamide Traditional Name: 4-chloro-N-[2-keto-2-(4-methyl-1,4-diazepan-4-ium-1-yl)ethyl]benzamide Formula: C15H21ClN3O2+ MolecularWeight: 310.79914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN3O2/c1-18-7-2-8-19(10-9-18)14(20)11-17-15(21)12-3-5-13(16)6-4-12/h3-6H,2,7-11H2,1H3,(H,17,21)/p+1