[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H30N2O5/c1-5-30-19-8-6-17(7-9-19)16-24-10-12-25(13-11-24)23(26)18-14-20(27-2)22(29-4)21(15-18)28-3/h6-9,14-15H,5,10-13,16H2,1-4H3/p+1