1-[2,6-bis(chloranyl)phenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium Openeye Name: 1-(2,6-dichlorophenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium CAS Name: 1-(2,6-dichlorophenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(2,6-dichlorophenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium Traditional Name: 1-(2,6-dichlorophenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium Formula: C21H27Cl2N2O3+ MolecularWeight: 426.35668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCN(CC2)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCN(CC2)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H26Cl2N2O3/c1-26-18-13-15(14-19(27-2)21(18)28-3)7-8-24-9-11-25(12-10-24)20-16(22)5-4-6-17(20)23/h4-6,13-14H,7-12H2,1-3H3/p+1