3-iodanyl-1-[4-methoxy-2-(phenylmethyl)phenyl]piperazine

Systemtic Name: 3-iodanyl-1-[4-methoxy-2-(phenylmethyl)phenyl]piperazine Openeye Name: 1-(2-benzyl-4-methoxy-phenyl)-3-iodo-piperazine CAS Name: 3-iodo-1-[4-methoxy-2-(phenylmethyl)phenyl]piperazine IUPAC Name: 1-(2-benzyl-4-methoxyphenyl)-3-iodopiperazine Traditional Name: 1-(2-benzyl-4-methoxy-phenyl)-3-iodo-piperazine Formula: C18H21IN2O MolecularWeight: 408.27661

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCNC(C2)I)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCNC(C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C18H21IN2O/c1-22-16-7-8-17(21-10-9-20-18(19)13-21)15(12-16)11-14-5-3-2-4-6-14/h2-8,12,18,20H,9-11,13H2,1H3