2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC3=CC=C(S3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H22BrN3OS/c19-17-7-6-16(24-17)13-21-8-10-22(11-9-21)14-18(23)20-12-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,20,23)/p+1