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

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethoxyphenyl)-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H25N3O3+2 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-24-17-11-16(12-18(13-17)25-2)19(23)22-9-7-21(8-10-22)14-15-3-5-20-6-4-15/h3-6,11-13H,7-10,14H2,1-2H3/p+2