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

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(3-phenylpropyl)piperazin-4-ium Formula: C28H35N2O2+ MolecularWeight: 431.5897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CCCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CCCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2/c1-31-27-15-14-26(21-28(27)32-23-25-11-6-3-7-12-25)22-30-19-17-29(18-20-30)16-8-13-24-9-4-2-5-10-24/h2-7,9-12,14-15,21H,8,13,16-20,22-23H2,1H3/p+1