4-(2-chloranylphenothiazin-10-yl)but-2-ynyl-diethyl-azanium

Systemtic Name: 4-(2-chloranylphenothiazin-10-yl)but-2-ynyl-diethyl-azanium Openeye Name: 4-(2-chlorophenothiazin-10-yl)but-2-ynyl-diethyl-ammonium CAS Name: 4-(2-chloro-10-phenothiazinyl)but-2-ynyl-diethylammonium IUPAC Name: 4-(2-chlorophenothiazin-10-yl)but-2-ynyl-diethylazanium Traditional Name: 4-(2-chlorophenothiazin-10-yl)but-2-ynyl-diethyl-ammonium Formula: C20H22ClN2S+ MolecularWeight: 357.92008

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CC#CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2S/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,13-14H2,1-2H3/p+1