(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(3-bromo-5-ethoxy-4-methoxy-benzyl)ammonium Formula: C22H31BrN2O2+2 MolecularWeight: 435.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C22H29BrN2O2/c1-3-27-21-14-18(13-20(23)22(21)26-2)15-24-19-9-11-25(12-10-19)16-17-7-5-4-6-8-17/h4-8,13-14,19,24H,3,9-12,15-16H2,1-2H3/p+2