1,4-diazepan-4-ium-1-yl(1H-indol-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl(1H-indol-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(1H-indol-2-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(1H-indol-2-yl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(1H-indol-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(1H-indol-2-yl)methanone Formula: C14H18N3O+ MolecularWeight: 244.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C14H17N3O/c18-14(17-8-3-6-15-7-9-17)13-10-11-4-1-2-5-12(11)16-13/h1-2,4-5,10,15-16H,3,6-9H2/p+1