1,4-diazepan-4-ium-1-yl-(2,5-dimethylphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylphenyl)methanone Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-11-4-5-12(2)13(10-11)14(17)16-8-3-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3/p+1