[4-[(3H-benzo[f]chromen-2-ylcarbonylamino)methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium

Systemtic Name: [4-[(3H-benzo[f]chromen-2-ylcarbonylamino)methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium Openeye Name: [4-[(3H-benzo[f]chromene-2-carbonylamino)methyl]phenyl]methyl-dimethyl-tetrahydropyran-4-yl-ammonium CAS Name: [4-[[[3H-benzo[f][1]benzopyran-2-yl(oxo)methyl]amino]methyl]phenyl]methyl-dimethyl-(4-oxanyl)ammonium IUPAC Name: [4-[(3H-benzo[f]chromene-2-carbonylamino)methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium Traditional Name: [4-[(3H-benzo[f]chromene-2-carbonylamino)methyl]benzyl]-dimethyl-tetrahydropyran-4-yl-ammonium Formula: C29H33N2O3+ MolecularWeight: 457.58392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2)C5CCOCC5

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2)C5CCOCC5

InChI

InChI=1S/C29H32N2O3/c1-31(2,25-13-15-33-16-14-25)19-22-9-7-21(8-10-22)18-30-29(32)24-17-27-26-6-4-3-5-23(26)11-12-28(27)34-20-24/h3-12,17,25H,13-16,18-20H2,1-2H3/p+1