(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-benzoxy-3-bromo-5-methoxy-phenyl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C25H27BrN3O3+ MolecularWeight: 497.40418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CN=CC=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CN=CC=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrN3O3/c1-31-23-15-21(14-22(26)24(23)32-18-19-6-3-2-4-7-19)25(30)29-12-10-28(11-13-29)17-20-8-5-9-27-16-20/h2-9,14-16H,10-13,17-18H2,1H3/p+1