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

Systemtic Name: [4-(3H-benzo[f]chromen-2-ylcarbonylamino)phenyl]methyl-dimethyl-(thian-4-yl)azanium Openeye Name: [4-(3H-benzo[f]chromene-2-carbonylamino)phenyl]methyl-dimethyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [4-[[3H-benzo[f][1]benzopyran-2-yl(oxo)methyl]amino]phenyl]methyl-dimethyl-(4-thianyl)ammonium IUPAC Name: [4-(3H-benzo[f]chromene-2-carbonylamino)phenyl]methyl-dimethyl-(thian-4-yl)azanium Traditional Name: [4-(3H-benzo[f]chromene-2-carbonylamino)benzyl]-dimethyl-tetrahydrothiopyran-4-yl-ammonium Formula: C28H31N2O2S+ MolecularWeight: 459.62294

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2)C5CCSCC5

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2)C5CCSCC5

InChI

InChI=1S/C28H30N2O2S/c1-30(2,24-13-15-33-16-14-24)18-20-7-10-23(11-8-20)29-28(31)22-17-26-25-6-4-3-5-21(25)9-12-27(26)32-19-22/h3-12,17,24H,13-16,18-19H2,1-2H3/p+1