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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-(4-o-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3OC)OC

InChI

InChI=1S/C21H26N2O4/c1-25-18-7-5-4-6-17(18)15-22-10-12-23(13-11-22)21(24)16-8-9-19(26-2)20(14-16)27-3/h4-9,14H,10-13,15H2,1-3H3/p+1