2-(6-bromanyl-1H-indol-3-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[3-(dimethylamino)propyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-[3-(dimethylamino)propyl]piperazino]acetic acid Formula: C19H27BrN4O2 MolecularWeight: 423.34728

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

CN(C)CCCN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C19H27BrN4O2/c1-22(2)6-3-7-23-8-10-24(11-9-23)18(19(25)26)16-13-21-17-12-14(20)4-5-15(16)17/h4-5,12-13,18,21H,3,6-11H2,1-2H3,(H,25,26)