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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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