4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoic acid hydrochloride

Systemtic Name: 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoic acid hydrochloride Openeye Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid hydrochloride CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid hydrochloride IUPAC Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoic acid hydrochloride Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid hydrochloride Formula: C14H20BrClN2O2 MolecularWeight: 363.6778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)O)Br)N.Cl

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)O)Br)N.Cl

InChI

InChI=1S/C14H19BrN2O2.ClH/c15-12-8-10(14(18)19)7-11(13(12)16)9-17-5-3-1-2-4-6-17;/h7-8H,1-6,9,16H2,(H,18,19);1H