N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-16(2)18-7-5-17(6-8-18)15-23-9-11-24(12-10-23)20(25)14-22-21(26)19-4-3-13-27-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,22,26)/p+1