(2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N5O2S/c1-23-9-11-24(12-10-23)18-7-6-15(14-21-18)22-19(26)16-4-2-8-25(16)20(27)17-5-3-13-28-17/h3,5-7,13-14,16H,2,4,8-12H2,1H3,(H,22,26)/p+1/t16-/m0/s1