2-[4-[1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(3-benzoxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C26H39N3O3+2 MolecularWeight: 441.60616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO)OCC4=CC=CC=C4

InChI

InChI=1S/C26H37N3O3/c1-31-25-8-7-23(19-26(25)32-21-22-5-3-2-4-6-22)20-28-11-9-24(10-12-28)29-15-13-27(14-16-29)17-18-30/h2-8,19,24,30H,9-18,20-21H2,1H3/p+2