4-methyl-1-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[(2S)-2-phenylpropyl]-1,4-diazepan-1-ium-5-one Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC(=O)N(CC1)C)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C[NH+]1CCC(=O)N(CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C15H22N2O/c1-13(14-6-4-3-5-7-14)12-17-9-8-15(18)16(2)10-11-17/h3-7,13H,8-12H2,1-2H3/p+1/t13-/m1/s1