4-methyl-1-[(3R)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(3R)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[(3R)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(3R)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(3R)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[(3R)-3-phenylbutyl]-1,4-diazepan-1-ium-5-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O/c1-14(15-6-4-3-5-7-15)8-10-18-11-9-16(19)17(2)12-13-18/h3-7,14H,8-13H2,1-2H3/p+1/t14-/m1/s1