(3-methoxyphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

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