4-ethyl-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-(2-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=CC=C2C

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=CC=C2C

InChI

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