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

Systemtic Name: 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C30H39N3O2+2 MolecularWeight: 473.64956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H37N3O2/c1-34-30-22-26(12-13-29(30)35-24-25-8-4-2-5-9-25)23-31-16-14-28(15-17-31)33-20-18-32(19-21-33)27-10-6-3-7-11-27/h2-13,22,28H,14-21,23-24H2,1H3/p+2