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

Systemtic Name: [1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxidanylidene-ethyl]-pentan-3-yl-azanium chloride Openeye Name: [1-(4-aminophenyl)-2-[1,1-dioxo-7-(p-tolyl)-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxo-ethyl]-(1-ethylpropyl)ammonium chloride CAS Name: [1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxoethyl]-pentan-3-ylammonium chloride IUPAC Name: [1-(4-aminophenyl)-2-[7-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-4-yl]-2-oxoethyl]-pentan-3-ylazanium 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]-(1-ethylpropyl)ammonium chloride Formula: C30H35ClN2O3S MolecularWeight: 539.1285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]C(C1=CC=C(C=C1)N)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)S(=O)(=O)CC2.[Cl-]

Isomeric SMILES

CCC(CC)[NH2+]C(C1=CC=C(C=C1)N)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)S(=O)(=O)CC2.[Cl-]

InChI

InChI=1S/C30H34N2O3S.ClH/c1-4-27(5-2)32-29(22-10-13-26(31)14-11-22)30(33)24-16-17-36(34,35)28-15-12-23(18-25(28)19-24)21-8-6-20(3)7-9-21;/h6-15,18-19,27,29,32H,4-5,16-17,31H2,1-3H3;1H