2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCNC(=O)C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH+]3CCNC(=O)C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c25-17-12-24(11-10-22-17)13-18(26)23-21-19(15-8-4-5-9-16(15)28-21)20(27)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,22,25)(H,23,26)/p+1