1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]ethanone Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NNC(=C5C=CC=N5)O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NNC(=C5C=CC=N5)O4

InChI

InChI=1S/C23H23N5O2S/c29-21(16-31-23-26-25-22(30-23)20-9-4-10-24-20)28-13-11-27(12-14-28)15-18-7-3-6-17-5-1-2-8-19(17)18/h1-10,25H,11-16H2/p+1