2-[(2-nitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]ethylazanium

Systemtic Name: 2-[(2-nitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]ethylazanium Openeye Name: 2-[2-nitro-4-(phenothiazine-10-carbonyl)anilino]ethylammonium CAS Name: 2-[2-nitro-4-[oxo(10-phenothiazinyl)methyl]anilino]ethylammonium IUPAC Name: 2-[2-nitro-4-(phenothiazine-10-carbonyl)anilino]ethylazanium Traditional Name: 2-[2-nitro-4-(phenothiazine-10-carbonyl)anilino]ethylammonium Formula: C21H19N4O3S+ MolecularWeight: 407.46556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)NCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)NCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c22-11-12-23-15-10-9-14(13-18(15)25(27)28)21(26)24-16-5-1-3-7-19(16)29-20-8-4-2-6-17(20)24/h1-10,13,23H,11-12,22H2/p+1