1,4-diazepan-4-ium-1-yl-(4-ethylphenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

InChI

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