2-piperidin-1-ium-1-yl-1-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)ethanone

Systemtic Name: 2-piperidin-1-ium-1-yl-1-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)ethanone Openeye Name: 2-piperidin-1-ium-1-yl-1-[3-(2-thienyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone CAS Name: 2-(1-piperidin-1-iumyl)-1-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)ethanone IUPAC Name: 2-piperidin-1-ium-1-yl-1-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)ethanone Traditional Name: 2-piperidin-1-ium-1-yl-1-[3-(2-thienyl)-3,3a,4,5-tetrahydrobenz[g]indazol-2-yl]ethanone Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(C3CCC4=CC=CC=C4C3=N2)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2C(C3CCC4=CC=CC=C4C3=N2)C5=CC=CS5

InChI

InChI=1S/C22H25N3OS/c26-20(15-24-12-4-1-5-13-24)25-22(19-9-6-14-27-19)18-11-10-16-7-2-3-8-17(16)21(18)23-25/h2-3,6-9,14,18,22H,1,4-5,10-13,15H2/p+1