(3,5-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethoxyphenyl)-(4-m-anisylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

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