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

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-(4-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-(pyridin-1-ium-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-dimethoxyphenyl)-[4-(pyridin-1-ium-4-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=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

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