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

Systemtic Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]azanium Openeye Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxo-propyl]ammonium CAS Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-3-oxopropyl]ammonium IUPAC Name: 1-adamantyl-[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]azanium Traditional Name: 1-adamantyl-[3-[2-(carbethoxyamino)phenothiazin-10-yl]-3-keto-propyl]ammonium Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3S/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)/p+1