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

Systemtic Name: 1-adamantylmethyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]azanium chloride Openeye Name: 1-adamantylmethyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxo-propyl]ammonium chloride CAS Name: 1-adamantylmethyl-[3-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-3-oxopropyl]ammonium chloride IUPAC Name: 1-adamantylmethyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]azanium chloride Traditional Name: 1-adamantylmethyl-[3-[2-(carbethoxyamino)phenothiazin-10-yl]-3-keto-propyl]ammonium chloride Formula: C29H36ClN3O3S MolecularWeight: 542.13244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH2+]CC45CC6CC(C4)CC(C6)C5.[Cl-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH2+]CC45CC6CC(C4)CC(C6)C5.[Cl-]

InChI

InChI=1S/C29H35N3O3S.ClH/c1-2-35-28(34)31-22-7-8-26-24(14-22)32(23-5-3-4-6-25(23)36-26)27(33)9-10-30-18-29-15-19-11-20(16-29)13-21(12-19)17-29;/h3-8,14,19-21,30H,2,9-13,15-18H2,1H3,(H,31,34);1H