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

Systemtic Name: 5-ethanoyl-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NCCN2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NCCN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O2S/c1-15(24)18-8-9-19(26-18)20(25)21-10-11-23-13-12-22(2)14-17(23)16-6-4-3-5-7-16/h3-9,17H,10-14H2,1-2H3,(H,21,25)/p+1/t17-/m1/s1