(5-azanyl-2-chloranyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-azanyl-2-chloranyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-amino-2-chloro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-amino-2-chlorophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-amino-2-chlorophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-amino-2-chloro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H19ClN3O+ MolecularWeight: 268.76246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O/c1-16-5-2-6-17(8-7-16)13(18)11-9-10(15)3-4-12(11)14/h3-4,9H,2,5-8,15H2,1H3/p+1