1-(naphthalen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1-naphthylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1-naphthalenylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(1-naphthylmethyl)-4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium Formula: C25H32N2O3+2 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C25H30N2O3/c1-28-23-12-11-21(24(29-2)25(23)30-3)18-27-15-13-26(14-16-27)17-20-9-6-8-19-7-4-5-10-22(19)20/h4-12H,13-18H2,1-3H3/p+2