N-tert-butyl-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-tert-butyl-4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-tert-butyl-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-tert-butyl-4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-tert-butyl-4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-tert-butyl-4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C14H23ClN3OS+ MolecularWeight: 316.86992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C14H22ClN3OS/c1-14(2,3)16-13(19)18-8-6-17(7-9-18)10-11-4-5-12(15)20-11/h4-5H,6-10H2,1-3H3,(H,16,19)/p+1