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

Systemtic Name: 1-cycloheptyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-cycloheptyl-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-cycloheptyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-cycloheptyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-cycloheptyl-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)C3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)C3CCCCCC3

InChI

InChI=1S/C20H30N2O/c1-17-8-6-7-9-18(17)16-22-15-14-21(13-12-20(22)23)19-10-4-2-3-5-11-19/h6-9,19H,2-5,10-16H2,1H3/p+1