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

Systemtic Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]-dimethyl-azanium Openeye Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxo-propyl]-dimethyl-ammonium CAS Name: [3-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-3-oxopropyl]-dimethylammonium IUPAC Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]-dimethylazanium Traditional Name: [3-[2-(carbethoxyamino)phenothiazin-10-yl]-3-keto-propyl]-dimethyl-ammonium Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH+](C)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH+](C)C

InChI

InChI=1S/C20H23N3O3S/c1-4-26-20(25)21-14-9-10-18-16(13-14)23(19(24)11-12-22(2)3)15-7-5-6-8-17(15)27-18/h5-10,13H,4,11-12H2,1-3H3,(H,21,25)/p+1