(4-bromophenyl)methyl-(1-ethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (4-bromophenyl)methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Openeye Name: (4-bromophenyl)methyl-(1-ethylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-bromophenyl)methyl-(1-ethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (4-bromophenyl)methyl-(1-ethylpiperidin-1-ium-4-yl)azanium Traditional Name: (4-bromobenzyl)-(1-ethylpiperidin-1-ium-4-yl)ammonium Formula: C14H23BrN2+2 MolecularWeight: 299.24982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H21BrN2/c1-2-17-9-7-14(8-10-17)16-11-12-3-5-13(15)6-4-12/h3-6,14,16H,2,7-11H2,1H3/p+2