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

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxyphenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxyphenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-ethoxyphenyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxyphenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-p-phenetyl-methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-4-28-19-7-5-17(6-8-19)22(25)24-13-11-23(12-14-24)16-18-15-20(26-2)9-10-21(18)27-3/h5-10,15H,4,11-14,16H2,1-3H3/p+1