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

Systemtic Name: 4-[4-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-1,4-diazepan-1-yl]aniline chloride Openeye Name: 4-[4-[1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline chloride CAS Name: 4-[4-[1-(3-methyl-1-imidazol-3-iumyl)propan-2-yl]-1,4-diazepan-1-yl]aniline chloride IUPAC Name: 4-[4-[1-(3-methylimidazol-3-ium-1-yl)propan-2-yl]-1,4-diazepan-1-yl]aniline chloride Traditional Name: [4-[4-[1-methyl-2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]phenyl]amine chloride Formula: C18H28ClN5 MolecularWeight: 349.90142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C[N+](=C1)C)N2CCCN(CC2)C3=CC=C(C=C3)N.[Cl-]

Isomeric SMILES

CC(CN1C=C[N+](=C1)C)N2CCCN(CC2)C3=CC=C(C=C3)N.[Cl-]

InChI

InChI=1S/C18H28N5.ClH/c1-16(14-21-11-10-20(2)15-21)22-8-3-9-23(13-12-22)18-6-4-17(19)5-7-18;/h4-7,10-11,15-16H,3,8-9,12-14,19H2,1-2H3;1H/q+1;/p-1