1-(azepan-1-yl)-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4

InChI

InChI=1S/C20H29N3O2S/c24-19(22-8-3-1-2-4-9-22)15-21-10-12-23(13-11-21)20(25)18-14-16-6-5-7-17(16)26-18/h14H,1-13,15H2/p+1