4-ethyl-1-(phenylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-(phenylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-benzyl-4-ethyl-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-(phenylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-benzyl-4-ethyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-benzyl-4-ethyl-1,4-diazepan-1-ium-5-one Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O/c1-2-16-11-10-15(9-8-14(16)17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1