(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-dimethoxyphenyl)-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-4-28-18-10-8-17(9-11-18)16-23-12-14-24(15-13-23)22(25)19-6-5-7-20(26-2)21(19)27-3/h5-11H,4,12-16H2,1-3H3/p+1