(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(phenylcarbonyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(ethylamino)-(phenylcarbonyl)-(pyridin-3-ylmethyl)azanium Openeye Name: benzoyl-[(2-benzyloxy-5-bromo-phenyl)methyl]-(ethylamino)-(3-pyridylmethyl)ammonium CAS Name: benzoyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]-(ethylamino)-(3-pyridinylmethyl)ammonium IUPAC Name: benzoyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]-(ethylamino)-(pyridin-3-ylmethyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-benzoyl-(ethylamino)-(3-pyridylmethyl)ammonium Formula: C29H29BrN3O2+ MolecularWeight: 531.46346

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+](CC1=CN=CC=C1)(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCN[N+](CC1=CN=CC=C1)(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H29BrN3O2/c1-2-32-33(20-24-12-9-17-31-19-24,29(34)25-13-7-4-8-14-25)21-26-18-27(30)15-16-28(26)35-22-23-10-5-3-6-11-23/h3-19,32H,2,20-22H2,1H3/q+1