3-[(S)-(4-chlorophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole

Systemtic Name: 3-[(S)-(4-chlorophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Openeye Name: 3-[(S)-(4-chlorophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole CAS Name: 3-[(S)-(4-chlorophenyl)-(1-piperazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(S)-(4-chlorophenyl)-piperazin-4-ium-1-ylmethyl]-1H-indole Traditional Name: 3-[(S)-(4-chlorophenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Formula: C19H21ClN3+ MolecularWeight: 326.84314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C19H20ClN3/c20-15-7-5-14(6-8-15)19(23-11-9-21-10-12-23)17-13-22-18-4-2-1-3-16(17)18/h1-8,13,19,21-22H,9-12H2/p+1/t19-/m0/s1