N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H25N5O2S/c1-15-14-16(26-11-9-25(2)10-12-26)5-6-17(15)22-19(27)7-8-20-23-21(24-28-20)18-4-3-13-29-18/h3-6,13-14H,7-12H2,1-2H3,(H,22,27)/p+1