4-ethyl-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-1,4-diazepan-1-ium-5-one Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)C(C)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCN1CC[NH+](CCC1=O)[C@H](C)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H27N3O/c1-3-21-12-13-22(11-10-19(21)23)15(2)8-9-16-14-20-18-7-5-4-6-17(16)18/h4-7,14-15,20H,3,8-13H2,1-2H3/p+1/t15-/m1/s1