[4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-2-thienyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(5-methyl-2-thiophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methylthiophen-2-yl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(5-methyl-2-thienyl)methanone Formula: C20H29N2OS+ MolecularWeight: 345.52206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H28N2OS/c1-14-2-3-18(24-14)19(23)21-4-6-22(7-5-21)20-11-15-8-16(12-20)10-17(9-15)13-20/h2-3,15-17H,4-13H2,1H3/p+1