1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2,3,4-trimethoxyphenyl)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-26-19-10-9-18(21(27-2)22(19)28-3)15-20(25)24-13-11-23(12-14-24)16-17-7-5-4-6-8-17/h4-10H,11-16H2,1-3H3/p+1