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

Systemtic Name: 1-cyclobutyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-cyclobutyl-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-cyclobutyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-cyclobutyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-cyclobutyl-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)C3CCC3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)C3CCC3

InChI

InChI=1S/C17H24N2O/c1-14-5-2-3-6-15(14)13-19-12-11-18(10-9-17(19)20)16-7-4-8-16/h2-3,5-6,16H,4,7-13H2,1H3/p+1