but-2-ynoxybenzene; 3-[2-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)ethylsulfanyl]-3-methyl-N-(methylamino)-N-oxidanyl-4-sulfonyl-butanamide

Systemtic Name: but-2-ynoxybenzene; 3-[2-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)ethylsulfanyl]-3-methyl-N-(methylamino)-N-oxidanyl-4-sulfonyl-butanamide Openeye Name: but-2-ynoxybenzene; 3-[2-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)ethylsulfanyl]-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonyl-butanamide CAS Name: but-2-ynoxybenzene; 3-[2-(1-ethyl-4-methyl-1-piperazin-1-iumyl)ethylthio]-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonylbutanamide IUPAC Name: but-2-ynoxybenzene; 3-[2-(1-ethyl-4-methylpiperazin-1-ium-1-yl)ethylsulfanyl]-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonylbutanamide Traditional Name: but-2-ynoxybenzene; 3-[2-(1-ethyl-4-methyl-piperazin-1-ium-1-yl)ethylthio]-N-hydroxy-3-methyl-N-(methylamino)-4-sulfonyl-butyramide Formula: C25H41N4O5S2+ MolecularWeight: 541.74684

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C)CCSC(C)(CC(=O)N(NC)O)C=S(=O)=O.CC#CCOC1=CC=CC=C1

Isomeric SMILES

CC[N+]1(CCN(CC1)C)CCSC(C)(CC(=O)N(NC)O)C=S(=O)=O.CC#CCOC1=CC=CC=C1

InChI

InChI=1S/C15H31N4O4S2.C10H10O/c1-5-19(8-6-17(4)7-9-19)10-11-24-15(2,13-25(22)23)12-14(20)18(21)16-3;1-2-3-9-11-10-7-5-4-6-8-10/h13,16,21H,5-12H2,1-4H3;4-8H,9H2,1H3/q+1;