1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-pyridylmethyl)piperazin-4-ium Formula: C18H23BrN3O+ MolecularWeight: 377.29872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=N3)Br

InChI

InChI=1S/C18H22BrN3O/c1-23-18-6-5-15(12-17(18)19)13-21-8-10-22(11-9-21)14-16-4-2-3-7-20-16/h2-7,12H,8-11,13-14H2,1H3/p+1