N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)N3C=CC=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H24N4OS/c1-16-15-17(5-6-18(16)25-12-10-23(2)11-13-25)22-21(26)20-19(7-14-27-20)24-8-3-4-9-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)/p+1