[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-[(2R)-1-phenylpropan-2-yl]azanium

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-[(2R)-1-phenylpropan-2-yl]azanium Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-[(1R)-1-methyl-2-phenyl-ethyl]ammonium CAS Name: [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]ammonium IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium Traditional Name: [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-[(1R)-1-methyl-2-phenyl-ethyl]ammonium Formula: C23H22ClN2OS+ MolecularWeight: 409.95158

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[NH2+]CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C[C@H](CC1=CC=CC=C1)[NH2+]CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN2OS/c1-16(13-17-7-3-2-4-8-17)25-15-23(27)26-19-9-5-6-10-21(19)28-22-12-11-18(24)14-20(22)26/h2-12,14,16,25H,13,15H2,1H3/p+1/t16-/m1/s1