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

Systemtic Name: [4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O4/c1-26-18-14-17(15-19(27-2)20(18)28-3)21(25)24-12-10-23(11-13-24)9-6-16-4-7-22-8-5-16/h4-5,7-8,14-15H,6,9-13H2,1-3H3/p+1