N-[(2R)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2R)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1R)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[(2R)-1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2R)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1R)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]acetamide Formula: C16H25BrN3O2S+ MolecularWeight: 403.3576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br)NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br)NC(=O)C

InChI

InChI=1S/C16H24BrN3O2S/c1-11(2)15(18-12(3)21)16(22)20-8-6-19(7-9-20)10-13-4-5-14(17)23-13/h4-5,11,15H,6-10H2,1-3H3,(H,18,21)/p+1/t15-/m1/s1