[1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxidanylidene-ethyl]-(oxan-4-yl)azanium chloride

Systemtic Name: [1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxidanylidene-ethyl]-(oxan-4-yl)azanium chloride Openeye Name: [1-(4-aminophenyl)-2-[1,1-dioxo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxo-ethyl]-tetrahydropyran-4-yl-ammonium chloride CAS Name: [1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxoethyl]-(4-oxanyl)ammonium chloride IUPAC Name: [1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxoethyl]-(oxan-4-yl)azanium chloride Traditional Name: [1-(4-aminophenyl)-2-[1,1-diketo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-keto-ethyl]-tetrahydropyran-4-yl-ammonium chloride Formula: C30H33ClN2O4S MolecularWeight: 553.11202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)C(C4=CC=C(C=C4)N)[NH2+]C5CCOCC5.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)C(C4=CC=C(C=C4)N)[NH2+]C5CCOCC5.[Cl-]

InChI

InChI=1S/C30H32N2O4S.ClH/c1-20-2-4-21(5-3-20)23-8-11-28-25(18-23)19-24(14-17-37(28,34)35)30(33)29(22-6-9-26(31)10-7-22)32-27-12-15-36-16-13-27;/h2-11,18-19,27,29,32H,12-17,31H2,1H3;1H