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

Systemtic Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-phenyl-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c1-23-18-10-9-16(19(24-2)20(18)25-3)15-21-11-13-22(14-12-21)17-7-5-4-6-8-17/h4-10H,11-15H2,1-3H3/p+1