3-[(4aR,10aS)-2-propanoyl-4a,10a-dihydrophenothiazin-10-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(4aR,10aS)-2-propanoyl-4a,10a-dihydrophenothiazin-10-yl]propyl-dimethyl-azanium Openeye Name: 3-[(4aR,10aS)-2-propanoyl-4a,10a-dihydrophenothiazin-10-yl]propyl-dimethyl-ammonium CAS Name: 3-[(4aR,10aS)-2-(1-oxopropyl)-4a,10a-dihydrophenothiazin-10-yl]propyl-dimethylammonium IUPAC Name: 3-[(4aR,10aS)-2-propanoyl-4a,10a-dihydrophenothiazin-10-yl]propyl-dimethylazanium Traditional Name: 3-[(4aR,10aS)-2-propionyl-4a,10a-dihydrophenothiazin-10-yl]propyl-dimethyl-ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2C(C=C1)SC3=CC=CC=C3N2CCC[NH+](C)C

Isomeric SMILES

CCC(=O)C1=C[C@H]2[C@@H](C=C1)SC3=CC=CC=C3N2CCC[NH+](C)C

InChI

InChI=1S/C20H26N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14,17,20H,4,7,12-13H2,1-3H3/p+1/t17-,20+/m0/s1