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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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