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

Systemtic Name: (2,6-dimethoxyphenyl)-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethoxyphenyl)-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethoxyphenyl)-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethoxyphenyl)-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethoxyphenyl)-[4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC=C3OC)OC)OC

InChI

InChI=1S/C23H30N2O5/c1-5-30-21-15-17(9-10-18(21)27-2)16-24-11-13-25(14-12-24)23(26)22-19(28-3)7-6-8-20(22)29-4/h6-10,15H,5,11-14,16H2,1-4H3/p+1