4-ethyl-1-[(4-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(4-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-(p-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(4-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(4-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-(4-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)C

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)C

InChI

InChI=1S/C15H22N2O/c1-3-17-11-10-16(9-8-15(17)18)12-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3/p+1