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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(3-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=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CN=CC=C3)Br

InChI

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