N-[3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c27-21(20-7-4-16-29-20)23-19-6-3-5-18(17-19)22(28)26-14-12-25(13-15-26)11-10-24-8-1-2-9-24/h3-7,16-17H,1-2,8-15H2,(H,23,27)/p+1