3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; methyl(phenanthren-9-yl)azanium; bromide

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; methyl(phenanthren-9-yl)azanium; bromide Openeye Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; methyl(9-phenanthryl)ammonium; bromide CAS Name: 3-(2-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine; methyl(9-phenanthrenyl)ammonium; bromide IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine; methyl(phenanthren-9-yl)azanium; bromide Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-amine; methyl(9-phenanthryl)ammonium; bromide Formula: C32H33BrClN3S MolecularWeight: 607.04652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=CC2=CC=CC=C2C3=CC=CC=C31.CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-]

Isomeric SMILES

C[NH2+]C1=CC2=CC=CC=C2C3=CC=CC=C31.CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C17H19ClN2S.C15H13N.BrH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;1-16-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15;/h3-4,6-9,12H,5,10-11H2,1-2H3;2-10,16H,1H3;1H