4-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-(m-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-(3-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(=C2)C

Isomeric SMILES

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

InChI

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