[(4R,5R)-3,3-dibutyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethyl-azanium

Systemtic Name: [(4R,5R)-3,3-dibutyl-4-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethyl-azanium Openeye Name: [(4R,5R)-3,3-dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethyl-ammonium CAS Name: [(4R,5R)-3,3-dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethylammonium IUPAC Name: [(4R,5R)-3,3-dibutyl-4-hydroxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethylazanium Traditional Name: [(4R,5R)-3,3-dibutyl-4-hydroxy-1,1-diketo-5-phenyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-7-yl]-trimethyl-ammonium Formula: C27H40NO3S+ MolecularWeight: 458.6764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)[N+](C)(C)C)C(C1O)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)[N+](C)(C)C)[C@H]([C@H]1O)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C27H40NO3S/c1-6-8-17-27(18-9-7-2)20-32(30,31)24-16-15-22(28(3,4)5)19-23(24)25(26(27)29)21-13-11-10-12-14-21/h10-16,19,25-26,29H,6-9,17-18,20H2,1-5H3/q+1/t25-,26-/m1/s1