(2,6-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone CAS Name: (2,6-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(3-benzoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone Formula: C28H33N2O5+ MolecularWeight: 477.57202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O5/c1-32-23-13-12-22(18-26(23)35-20-21-8-5-4-6-9-21)19-29-14-16-30(17-15-29)28(31)27-24(33-2)10-7-11-25(27)34-3/h4-13,18H,14-17,19-20H2,1-3H3/p+1