1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazin-1-ium Formula: C22H30BrN2O3+ MolecularWeight: 450.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC)OC

InChI

InChI=1S/C22H29BrN2O3/c1-4-28-22-13-17(5-7-21(22)27-3)15-24-9-11-25(12-10-24)16-18-14-19(23)6-8-20(18)26-2/h5-8,13-14H,4,9-12,15-16H2,1-3H3/p+1