N-(4-bromanyl-2-methyl-phenyl)-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-1-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: 1-benzyl-N-(4-bromo-2-methyl-phenyl)piperidin-4-amine; oxalic acid CAS Name: N-(4-bromo-2-methylphenyl)-1-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: 1-benzyl-N-(4-bromo-2-methylphenyl)piperidin-4-amine; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-(4-bromo-2-methyl-phenyl)amine; oxalic acid Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23BrN2.C2H2O4/c1-15-13-17(20)7-8-19(15)21-18-9-11-22(12-10-18)14-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-8,13,18,21H,9-12,14H2,1H3;(H,3,4)(H,5,6)