(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H23N3OS/c23-19(17-14-15-6-2-1-3-7-16(15)24-17)22-12-10-21(11-13-22)18-8-4-5-9-20-18/h4-5,8-9,14H,1-3,6-7,10-13H2/p+1