1-methyl-1-[1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]piperazin-1-ium

Systemtic Name: 1-methyl-1-[1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]piperazin-1-ium Openeye Name: 1-[1-[4-(7-benzyloxy-3-phenyl-chroman-4-yl)phenoxy]ethyl]-1-methyl-piperazin-1-ium CAS Name: 1-methyl-1-[1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl)phenoxy]ethyl]piperazin-1-ium IUPAC Name: 1-methyl-1-[1-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]piperazin-1-ium Traditional Name: 1-[1-[4-(7-benzoxy-3-phenyl-chroman-4-yl)phenoxy]ethyl]-1-methyl-piperazin-1-ium Formula: C35H39N2O3+ MolecularWeight: 535.69576

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1(CCNCC1)C)OC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC([N+]1(CCNCC1)C)OC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H39N2O3/c1-26(37(2)21-19-36-20-22-37)40-30-15-13-29(14-16-30)35-32-18-17-31(38-24-27-9-5-3-6-10-27)23-34(32)39-25-33(35)28-11-7-4-8-12-28/h3-18,23,26,33,35-36H,19-22,24-25H2,1-2H3/q+1