2-[4-(3-phenylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-phenylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(3-phenyl-2-thiophenyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-19(23-9-4-5-10-23)16-22-11-13-24(14-12-22)21(26)20-18(8-15-27-20)17-6-2-1-3-7-17/h1-3,6-8,15H,4-5,9-14,16H2/p+1