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

Systemtic Name: 2-methyl-4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline Openeye Name: 2-methyl-4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline CAS Name: 2-methyl-4-[4-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,4-diazepan-1-yl]aniline IUPAC Name: 2-methyl-4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]aniline Traditional Name: [2-methyl-4-[4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,4-diazepan-1-yl]phenyl]amine Formula: C18H28N5+ MolecularWeight: 314.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)CCN3C=C[N+](=C3)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)CCN3C=C[N+](=C3)C)N

InChI

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