N-[(3-bromanyl-4-methoxy-phenyl)methyl]cycloheptanamine; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]cycloheptanamine; ethanedioic acid Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]cycloheptanamine; oxalic acid CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]cycloheptanamine; oxalic acid IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]cycloheptanamine; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-cycloheptyl-amine; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCCCCC2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CCCCCC2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c1-18-15-9-8-12(10-14(15)16)11-17-13-6-4-2-3-5-7-13;3-1(4)2(5)6/h8-10,13,17H,2-7,11H2,1H3;(H,3,4)(H,5,6)