1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(1-ethylpropyl)piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(1-ethylpropyl)piperazine-1,4-diium Formula: C17H29BrN2O+2 MolecularWeight: 357.32896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H27BrN2O/c1-4-16(5-2)20-10-8-19(9-11-20)13-14-12-15(18)6-7-17(14)21-3/h6-7,12,16H,4-5,8-11,13H2,1-3H3/p+2