N-[(5-bromanylthiophen-2-yl)methyl]-1-propyl-piperidin-1-ium-4-amine

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-[(5-bromo-2-thienyl)methyl]-1-propyl-piperidin-1-ium-4-amine CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-1-propylpiperidin-1-ium-4-amine Traditional Name: (5-bromo-2-thienyl)methyl-(1-propylpiperidin-1-ium-4-yl)amine Formula: C13H22BrN2S+ MolecularWeight: 318.29618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NCC2=CC=C(S2)Br

Isomeric SMILES

CCC[NH+]1CCC(CC1)NCC2=CC=C(S2)Br

InChI

InChI=1S/C13H21BrN2S/c1-2-7-16-8-5-11(6-9-16)15-10-12-3-4-13(14)17-12/h3-4,11,15H,2,5-10H2,1H3/p+1