2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R)-1-phenylethyl]acetamide Formula: C19H26BrN3OS+2 MolecularWeight: 424.39824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C19H24BrN3OS/c1-15(16-5-3-2-4-6-16)21-19(24)14-23-11-9-22(10-12-23)13-17-7-8-18(20)25-17/h2-8,15H,9-14H2,1H3,(H,21,24)/p+2/t15-/m1/s1