(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C22H24N4OS/c27-21(25-15-13-24(14-16-25)19-9-3-4-10-23-19)20-17-7-1-2-8-18(17)28-22(20)26-11-5-6-12-26/h3-6,9-12H,1-2,7-8,13-16H2/p+1