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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-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=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3)OC

Isomeric SMILES

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

InChI

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