(3-chloranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chlorobenzothiophen-2-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chlorobenzothiophen-2-yl)methanone Formula: C20H20ClN2OS+ MolecularWeight: 371.9036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H19ClN2OS/c21-18-16-8-4-5-9-17(16)25-19(18)20(24)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2/p+1