[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-diphenyl-methanol

Systemtic Name: [4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-diphenyl-methanol Openeye Name: [4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-diphenyl-methanol CAS Name: [4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]-diphenylmethanol IUPAC Name: [4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]-diphenylmethanol Traditional Name: [4-(4-benzoxy-3-methoxy-benzyl)piperazin-4-ium-1-yl]-diphenyl-methanol Formula: C32H35N2O3+ MolecularWeight: 495.6319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H34N2O3/c1-36-31-23-27(17-18-30(31)37-25-26-11-5-2-6-12-26)24-33-19-21-34(22-20-33)32(35,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-18,23,35H,19-22,24-25H2,1H3/p+1