2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C23H30N5O2S+ MolecularWeight: 440.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4

InChI

InChI=1S/C23H29N5O2S/c1-4-7-24-18(29)15-26-10-12-28(13-11-26)23(30)21-20(27-8-5-6-9-27)19-16(2)14-17(3)25-22(19)31-21/h5-6,8-9,14H,4,7,10-13,15H2,1-3H3,(H,24,29)/p+1