1,4-diazepan-4-ium-1-yl-(4-propan-2-ylphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-propan-2-ylphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(4-isopropylphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-propan-2-ylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-propan-2-ylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(p-cumenyl)methanone Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C15H22N2O/c1-12(2)13-4-6-14(7-5-13)15(18)17-10-3-8-16-9-11-17/h4-7,12,16H,3,8-11H2,1-2H3/p+1