1-(1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Formula: C16H22N3O+ MolecularWeight: 272.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H21N3O/c20-16(19-10-3-8-17-9-11-19)7-6-13-12-18-15-5-2-1-4-14(13)15/h1-2,4-5,12,17-18H,3,6-11H2/p+1