1-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-azanyl-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone Openeye Name: 1-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone CAS Name: 1-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]-2-(3-methyl-1-imidazol-3-iumyl)ethanone IUPAC Name: 1-[4-(4-amino-3-methylphenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone Traditional Name: 1-[4-(4-amino-3-methyl-phenyl)-1,4-diazepan-1-yl]-2-(3-methylimidazol-3-ium-1-yl)ethanone Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCN(CC2)C(=O)CN3C=C[N+](=C3)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCN(CC2)C(=O)CN3C=C[N+](=C3)C)N

InChI

InChI=1S/C18H26N5O/c1-15-12-16(4-5-17(15)19)22-6-3-7-23(11-10-22)18(24)13-21-9-8-20(2)14-21/h4-5,8-9,12,14H,3,6-7,10-11,13,19H2,1-2H3/q+1