[4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(5-methyl-3-thiophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H28N2OS/c1-14-6-18(13-24-14)19(23)21-2-4-22(5-3-21)20-10-15-7-16(11-20)9-17(8-15)12-20/h6,13,15-17H,2-5,7-12H2,1H3/p+1