4-bromanyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[(4-isopropylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[(4-propan-2-yl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-isopropylpiperazino)methyl]phenol; oxalic acid Formula: C16H23BrN2O5 MolecularWeight: 403.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=C(C=CC(=C2)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=C(C=CC(=C2)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21BrN2O.C2H2O4/c1-11(2)17-7-5-16(6-8-17)10-12-9-13(15)3-4-14(12)18;3-1(4)2(5)6/h3-4,9,11,18H,5-8,10H2,1-2H3;(H,3,4)(H,5,6)