1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-4-ethyl-piperazine-1,4-diium Formula: C19H33BrN3O+3 MolecularWeight: 399.38882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H30BrN3O/c1-3-21-10-12-23(13-11-21)18-6-8-22(9-7-18)15-16-14-17(20)4-5-19(16)24-2/h4-5,14,18H,3,6-13,15H2,1-2H3/p+3