(2R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O2S/c1-16-15-17(25-12-10-24(2)11-13-25)7-8-18(16)23-21(27)19-5-3-9-26(19)22(28)20-6-4-14-29-20/h4,6-8,14-15,19H,3,5,9-13H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1