1-[1-[(2,3-diphenyl-3,4-dihydrochromen-2-yl)oxy]ethyl]-1-methyl-piperazin-1-ium

Systemtic Name: 1-[1-[(2,3-diphenyl-3,4-dihydrochromen-2-yl)oxy]ethyl]-1-methyl-piperazin-1-ium Openeye Name: 1-[1-(2,3-diphenylchroman-2-yl)oxyethyl]-1-methyl-piperazin-1-ium CAS Name: 1-[1-[(2,3-diphenyl-3,4-dihydro-2H-1-benzopyran-2-yl)oxy]ethyl]-1-methylpiperazin-1-ium IUPAC Name: 1-[1-[(2,3-diphenyl-3,4-dihydrochromen-2-yl)oxy]ethyl]-1-methylpiperazin-1-ium Traditional Name: 1-[1-(2,3-diphenylchroman-2-yl)oxyethyl]-1-methyl-piperazin-1-ium Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(CCNCC1)C)OC2(C(CC3=CC=CC=C3O2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC([N+]1(CCNCC1)C)OC2(C(CC3=CC=CC=C3O2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N2O2/c1-22(30(2)19-17-29-18-20-30)31-28(25-14-7-4-8-15-25)26(23-11-5-3-6-12-23)21-24-13-9-10-16-27(24)32-28/h3-16,22,26,29H,17-21H2,1-2H3/q+1