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

Systemtic Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(2-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(pyridin-1-ium-2-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C20H27N3O4+2 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25N3O4/c1-25-17-12-15(13-18(26-2)19(17)27-3)20(24)23-10-8-22(9-11-23)14-16-6-4-5-7-21-16/h4-7,12-13H,8-11,14H2,1-3H3/p+2