2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone Formula: C21H25ClN3O+ MolecularWeight: 370.8957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H24ClN3O/c22-19-6-3-4-17(14-19)15-23-10-12-24(13-11-23)16-21(26)25-9-8-18-5-1-2-7-20(18)25/h1-7,14H,8-13,15-16H2/p+1