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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(1-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+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CS5

InChI

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