[4-(2-adamantyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-(2-adamantyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-adamantyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H27N2OS+ MolecularWeight: 331.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C19H26N2OS/c22-19(17-2-1-7-23-17)21-5-3-20(4-6-21)18-15-9-13-8-14(11-15)12-16(18)10-13/h1-2,7,13-16,18H,3-6,8-12H2/p+1