1-benzothiophen-3-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 1-benzothiophen-3-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: benzothiophen-3-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: 1-benzothiophen-3-yl-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: 1-benzothiophen-3-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: benzothiophen-3-yl-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2OS/c24-21(19-16-25-20-9-5-4-8-18(19)20)23-14-12-22(13-15-23)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2/p+1