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

Systemtic Name: 4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-isobutyl-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-isobutyl-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-14(2)12-18-9-8-17(20)19(11-10-18)13-16-7-5-4-6-15(16)3/h4-7,14H,8-13H2,1-3H3/p+1