4-methyl-1-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(4-propan-2-ylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-isopropylbenzyl)-4-methyl-1,4-diazepan-1-ium-5-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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