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

Systemtic Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]-(3-methyl-1-adamantyl)azanium Openeye Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxo-propyl]-(3-methyl-1-adamantyl)ammonium CAS Name: [3-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-3-oxopropyl]-(3-methyl-1-adamantyl)ammonium IUPAC Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]-(3-methyl-1-adamantyl)azanium Traditional Name: [3-[2-(carbethoxyamino)phenothiazin-10-yl]-3-keto-propyl]-(3-methyl-1-adamantyl)ammonium Formula: C29H36N3O3S+ MolecularWeight: 506.67944

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O3S/c1-3-35-27(34)31-21-8-9-25-23(13-21)32(22-6-4-5-7-24(22)36-25)26(33)10-11-30-29-16-19-12-20(17-29)15-28(2,14-19)18-29/h4-9,13,19-20,30H,3,10-12,14-18H2,1-2H3,(H,31,34)/p+1