4-methyl-1-[(2R)-1-(4-methylphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(2R)-1-(4-methylphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[(1R)-1-methyl-2-(p-tolyl)ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(2R)-1-(4-methylphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(2R)-1-(4-methylphenyl)propan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[(1R)-1-methyl-2-(p-tolyl)ethyl]-1,4-diazepan-1-ium-5-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C)[NH+]2CCC(=O)N(CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C)[NH+]2CCC(=O)N(CC2)C

InChI

InChI=1S/C16H24N2O/c1-13-4-6-15(7-5-13)12-14(2)18-9-8-16(19)17(3)10-11-18/h4-7,14H,8-12H2,1-3H3/p+1/t14-/m1/s1