[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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