1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone IUPAC Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C24H24N4O2S/c29-23(9-8-22-25-24(26-30-22)20-10-15-31-17-20)28-13-11-27(12-14-28)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,10,15,17H,8-9,11-14,16H2/p+1