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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O2/c1-3-23-9-11-24(12-10-23)20-29-15-17-30(18-16-29)21-26-13-14-27(31-2)28(19-26)32-22-25-7-5-4-6-8-25/h4-14,19H,3,15-18,20-22H2,1-2H3/p+1