1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-benzyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-benzyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H29N2O3+ MolecularWeight: 357.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CN2CC[NH+](CC2)CC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-24-19-14-21(26-3)20(25-2)13-18(19)16-23-11-9-22(10-12-23)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3/p+1