1-[(3-phenoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-phenoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-phenoxybenzyl)-4-(2,3,4-trimethoxybenzyl)piperazin-1-ium Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H32N2O4/c1-30-25-13-12-22(26(31-2)27(25)32-3)20-29-16-14-28(15-17-29)19-21-8-7-11-24(18-21)33-23-9-5-4-6-10-23/h4-13,18H,14-17,19-20H2,1-3H3/p+1