1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butan-1-one Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C20H23N3OS2/c24-20(9-3-5-16-6-4-14-25-16)23-12-10-22(11-13-23)15-19-21-17-7-1-2-8-18(17)26-19/h1-2,4,6-8,14H,3,5,9-13,15H2/p+1