5-ethanoyl-N-[4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]thiophene-2-carboxamide

Systemtic Name: 5-ethanoyl-N-[4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[4-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[4-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[4-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]thiophene-2-carboxamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c1-19(29)23-11-12-24(31-23)25(30)26-22-9-7-21(8-10-22)18-28-15-13-27(14-16-28)17-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,26,30)/p+1