N-(1-adamantyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantyl)-4-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantyl)-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C20H30N3OS+ MolecularWeight: 360.5367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N3OS/c24-19(21-20-11-15-8-16(12-20)10-17(9-15)13-20)23-5-3-22(4-6-23)14-18-2-1-7-25-18/h1-2,7,15-17H,3-6,8-14H2,(H,21,24)/p+1