[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C21H27N2O5+ MolecularWeight: 387.44948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C21H26N2O5/c1-26-17-7-5-4-6-16(17)21(25)23-10-8-22(9-11-23)14-15-12-18(27-2)20(24)19(13-15)28-3/h4-7,12-13,24H,8-11,14H2,1-3H3/p+1