1-(azepan-1-yl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethanone Formula: C16H25BrN3O3S2+ MolecularWeight: 451.422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H24BrN3O3S2/c17-14-5-6-16(24-14)25(22,23)20-11-9-18(10-12-20)13-15(21)19-7-3-1-2-4-8-19/h5-6H,1-4,7-13H2/p+1