[2-chloranyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylazanium

Systemtic Name: [2-chloranyl-6-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylazanium Openeye Name: [2-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylammonium CAS Name: [2-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylammonium IUPAC Name: [2-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylazanium Traditional Name: [2-chloro-6-(4-methyl-1,4-diazepan-4-ium-1-yl)benzyl]ammonium Formula: C13H22ClN3+2 MolecularWeight: 255.78688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C(=CC=C2)Cl)C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C(=CC=C2)Cl)C[NH3+]

InChI

InChI=1S/C13H20ClN3/c1-16-6-3-7-17(9-8-16)13-5-2-4-12(14)11(13)10-15/h2,4-5H,3,6-10,15H2,1H3/p+2