1-(naphthalen-1-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1-naphthylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(1-naphthalenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-naphthylmethyl)-4-(3,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

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