4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline chloride

Systemtic Name: 4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline chloride Openeye Name: 4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline chloride CAS Name: 4-[4-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,4-diazepan-1-yl]aniline chloride IUPAC Name: 4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline chloride Traditional Name: [4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]phenyl]amine chloride Formula: C17H26ClN5 MolecularWeight: 335.87484

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCN2CCCN(CC2)C3=CC=C(C=C3)N.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCN2CCCN(CC2)C3=CC=C(C=C3)N.[Cl-]

InChI

InChI=1S/C17H26N5.ClH/c1-19-9-10-21(15-19)12-11-20-7-2-8-22(14-13-20)17-5-3-16(18)4-6-17;/h3-6,9-10,15H,2,7-8,11-14,18H2,1H3;1H/q+1;/p-1