[2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonylphenyl]-thiophen-2-yl-methanone

Systemtic Name: [2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonylphenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]-(2-thienyl)methanone Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O2S/c26-21(20-8-5-17-28-20)18-6-1-2-7-19(18)22(27)25-15-13-24(14-16-25)12-11-23-9-3-4-10-23/h1-2,5-8,17H,3-4,9-16H2/p+1