4-(10H-phenothiazin-10-ium-10-yl)butanoate

Systemtic Name: 4-(10H-phenothiazin-10-ium-10-yl)butanoate Openeye Name: 4-(10H-phenothiazin-10-ium-10-yl)butanoate CAS Name: 4-(10H-phenothiazin-10-ium-10-yl)butanoate IUPAC Name: 4-(10H-phenothiazin-10-ium-10-yl)butanoate Traditional Name: 4-(10H-phenothiazin-10-ium-10-yl)butyrate Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+](C3=CC=CC=C3S2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH+](C3=CC=CC=C3S2)CCCC(=O)[O-]

InChI

InChI=1S/C16H15NO2S/c18-16(19)10-5-11-17-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2,(H,18,19)