1-piperazin-4-ium-1-yl-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-piperazin-4-ium-1-yl-4-thiophen-2-yl-butan-1-one Openeye Name: 1-piperazin-4-ium-1-yl-4-(2-thienyl)butan-1-one CAS Name: 1-(1-piperazin-4-iumyl)-4-thiophen-2-yl-1-butanone IUPAC Name: 1-piperazin-4-ium-1-yl-4-thiophen-2-ylbutan-1-one Traditional Name: 1-piperazin-4-ium-1-yl-4-(2-thienyl)butan-1-one Formula: C12H19N2OS+ MolecularWeight: 239.35706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCC2=CC=CS2

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCC2=CC=CS2

InChI

InChI=1S/C12H18N2OS/c15-12(14-8-6-13-7-9-14)5-1-3-11-4-2-10-16-11/h2,4,10,13H,1,3,5-9H2/p+1