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

Systemtic Name: 1-(phenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-benzyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3/c1-24-19-13-18(14-20(25-2)21(19)26-3)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