2-[4-[[(2R)-2,3-dihydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[(2R)-2,3-dihydro-1-benzothiophen-2-yl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(2R)-2,3-dihydro-1-benzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(2R)-2,3-dihydrobenzothiophene-2-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N3O2S/c23-18(21-7-3-4-8-21)14-20-9-11-22(12-10-20)19(24)17-13-15-5-1-2-6-16(15)25-17/h1-2,5-6,17H,3-4,7-14H2/p+1/t17-/m1/s1