5-bromanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 5-bromanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-bromo-aniline CAS Name: 5-bromo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-bromoaniline Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-5-bromo-phenyl]amine Formula: C17H21BrN3+ MolecularWeight: 347.27274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)N

InChI

InChI=1S/C17H20BrN3/c18-15-6-7-17(16(19)12-15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2/p+1