1-(2-methoxyphenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-4-(2-methoxyphenyl)piperazin-1-ium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N2O3/c1-29-24-11-7-6-10-23(24)28-16-14-27(15-17-28)19-22-12-13-25(26(18-22)30-2)31-20-21-8-4-3-5-9-21/h3-13,18H,14-17,19-20H2,1-2H3/p+1