1-(2-phenoxyethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-phenoxyethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-phenoxyethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2-phenoxyethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-phenoxyethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-phenoxyethyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C22H30N2O4/c1-25-20-10-9-18(21(26-2)22(20)27-3)17-24-13-11-23(12-14-24)15-16-28-19-7-5-4-6-8-19/h4-10H,11-17H2,1-3H3/p+1