1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-phenyl-propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-phenyl-propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-phenyl-propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-phenyl-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-phenylpropan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methyl-2-phenyl-propan-1-one Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-15(2,13-7-4-3-5-8-13)14(18)17-11-6-9-16-10-12-17/h3-5,7-8,16H,6,9-12H2,1-2H3/p+1