1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-phenylcyclohexyl)piperazin-4-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-phenylcyclohexyl)piperazin-4-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(4-phenylcyclohexyl)piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazin-4-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazin-4-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(4-phenylcyclohexyl)piperazin-4-ium Formula: C24H32BrN2O+ MolecularWeight: 444.42768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31BrN2O/c1-28-24-12-9-22(25)17-21(24)18-26-13-15-27(16-14-26)23-10-7-20(8-11-23)19-5-3-2-4-6-19/h2-6,9,12,17,20,23H,7-8,10-11,13-16,18H2,1H3/p+1