(4-methoxyphenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O5+ MolecularWeight: 401.47606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-26-18-7-5-17(6-8-18)22(25)24-11-9-23(10-12-24)15-16-13-19(27-2)21(29-4)20(14-16)28-3/h5-8,13-14H,9-12,15H2,1-4H3/p+1