1,4-diazepan-4-ium-1-yl-(2,4,6-trimethylphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2,4,6-trimethylphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,4,6-trimethylphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,4,6-trimethylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,4,6-trimethylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(mesityl)methanone Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)N2CCC[NH2+]CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)N2CCC[NH2+]CC2)C

InChI

InChI=1S/C15H22N2O/c1-11-9-12(2)14(13(3)10-11)15(18)17-7-4-5-16-6-8-17/h9-10,16H,4-8H2,1-3H3/p+1