1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]azepane; ethanedioic acid

Systemtic Name: 1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]azepane; ethanedioic acid Openeye Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(3-bromophenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(3-bromobenzyl)-4-piperidyl]azepane; oxalic acid Formula: C20H29BrN2O4 MolecularWeight: 441.35926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27BrN2.C2H2O4/c19-17-7-5-6-16(14-17)15-20-12-8-18(9-13-20)21-10-3-1-2-4-11-21;3-1(4)2(5)6/h5-7,14,18H,1-4,8-13,15H2;(H,3,4)(H,5,6)