2-chloranyl-4-ethyl-3-[3-(methoxymethyl)phenyl]-1-(2-methylphenyl)-1-pyridin-4-yl-piperazin-1-ium

Systemtic Name: 2-chloranyl-4-ethyl-3-[3-(methoxymethyl)phenyl]-1-(2-methylphenyl)-1-pyridin-4-yl-piperazin-1-ium Openeye Name: 2-chloro-4-ethyl-3-[3-(methoxymethyl)phenyl]-1-(o-tolyl)-1-(4-pyridyl)piperazin-1-ium CAS Name: 2-chloro-4-ethyl-3-[3-(methoxymethyl)phenyl]-1-(2-methylphenyl)-1-pyridin-4-ylpiperazin-1-ium IUPAC Name: 2-chloro-4-ethyl-3-[3-(methoxymethyl)phenyl]-1-(2-methylphenyl)-1-pyridin-4-ylpiperazin-1-ium Traditional Name: 2-chloro-4-ethyl-3-[3-(methoxymethyl)phenyl]-1-(o-tolyl)-1-(4-pyridyl)piperazin-1-ium Formula: C26H31ClN3O+ MolecularWeight: 436.99684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](C(C1C2=CC(=CC=C2)COC)Cl)(C3=CC=NC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCN1CC[N+](C(C1C2=CC(=CC=C2)COC)Cl)(C3=CC=NC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C26H31ClN3O/c1-4-29-16-17-30(23-12-14-28-15-13-23,24-11-6-5-8-20(24)2)26(27)25(29)22-10-7-9-21(18-22)19-31-3/h5-15,18,25-26H,4,16-17,19H2,1-3H3/q+1