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

Systemtic Name: N-butyl-2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H32N5O2S+ MolecularWeight: 454.60818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O2S/c1-4-5-8-25-19(30)16-27-11-13-29(14-12-27)24(31)22-21(28-9-6-7-10-28)20-17(2)15-18(3)26-23(20)32-22/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3,(H,25,30)/p+1