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

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N3OS/c22-18(15-13-23-16-6-2-1-5-14(15)16)21-11-9-20(10-12-21)17-7-3-4-8-19-17/h3-4,7-8,13H,1-2,5-6,9-12H2/p+1