N-(3-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Formula: C13H19ClN3O+ MolecularWeight: 268.76246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H18ClN3O/c1-16-6-3-7-17(9-8-16)13(18)15-12-5-2-4-11(14)10-12/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)/p+1