1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]azanium chloride

Systemtic Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]azanium chloride Openeye Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxo-propyl]ammonium chloride CAS Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-3-oxopropyl]ammonium chloride IUPAC Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]azanium chloride Traditional Name: 1-adamantyl-[3-[2-(carbethoxyamino)phenothiazin-10-yl]-3-keto-propyl]ammonium chloride Formula: C28H34ClN3O3S MolecularWeight: 528.10586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH2+]C45CC6CC(C4)CC(C6)C5.[Cl-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH2+]C45CC6CC(C4)CC(C6)C5.[Cl-]

InChI

InChI=1S/C28H33N3O3S.ClH/c1-2-34-27(33)30-21-7-8-25-23(14-21)31(22-5-3-4-6-24(22)35-25)26(32)9-10-29-28-15-18-11-19(16-28)13-20(12-18)17-28;/h3-8,14,18-20,29H,2,9-13,15-17H2,1H3,(H,30,33);1H