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

Systemtic Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-(2,3,4-trimethoxyphenyl)methanone Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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