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

Systemtic Name: 1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one Openeye Name: 1-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one CAS Name: 1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1-propanone IUPAC Name: 1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one Traditional Name: 1-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propan-1-one Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C23H28N4O2S/c1-17(2)19-7-5-18(6-8-19)16-26-11-13-27(14-12-26)22(28)10-9-21-24-23(25-29-21)20-4-3-15-30-20/h3-8,15,17H,9-14,16H2,1-2H3/p+1