4-ethyl-1-[(2R)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(2R)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(2R)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2R)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2R)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[(2R)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

CCN1CC[NH+](CCC1=O)C[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-3-18-12-11-17(10-9-16(18)19)13-14(2)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1