5-bromanyl-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylic acid

Systemtic Name: 5-bromanyl-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylic acid Openeye Name: 5-bromo-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylic acid CAS Name: 5-bromo-8-(4-methyl-1-piperazinyl)-2-naphthalenecarboxylic acid IUPAC Name: 5-bromo-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxylic acid Traditional Name: 5-bromo-8-(4-methylpiperazino)-2-naphthoic acid Formula: C16H17BrN2O2 MolecularWeight: 349.22238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C=C(C=CC3=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C3C=C(C=CC3=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H17BrN2O2/c1-18-6-8-19(9-7-18)15-5-4-14(17)12-3-2-11(16(20)21)10-13(12)15/h2-5,10H,6-9H2,1H3,(H,20,21)