N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N5O2S/c1-26-10-12-27(13-11-26)20-9-8-16(15-23-20)24-21(28)17-5-2-3-6-18(17)25-22(29)19-7-4-14-30-19/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,29)/p+1