1-(2-chlorophenyl)-1-[3-(3,4,5-trimethoxyphenyl)propyl]piperazin-1-ium

Systemtic Name: 1-(2-chlorophenyl)-1-[3-(3,4,5-trimethoxyphenyl)propyl]piperazin-1-ium Openeye Name: 1-(2-chlorophenyl)-1-[3-(3,4,5-trimethoxyphenyl)propyl]piperazin-1-ium CAS Name: 1-(2-chlorophenyl)-1-[3-(3,4,5-trimethoxyphenyl)propyl]piperazin-1-ium IUPAC Name: 1-(2-chlorophenyl)-1-[3-(3,4,5-trimethoxyphenyl)propyl]piperazin-1-ium Traditional Name: 1-(2-chlorophenyl)-1-[3-(3,4,5-trimethoxyphenyl)propyl]piperazin-1-ium Formula: C22H30ClN2O3+ MolecularWeight: 405.9382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC[N+]2(CCNCC2)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC[N+]2(CCNCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H30ClN2O3/c1-26-20-15-17(16-21(27-2)22(20)28-3)7-6-12-25(13-10-24-11-14-25)19-9-5-4-8-18(19)23/h4-5,8-9,15-16,24H,6-7,10-14H2,1-3H3/q+1