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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC)OC

InChI

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