3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; octanoic acid

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; octanoic acid Openeye Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; octanoic acid CAS Name: 3-(2-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine; octanoic acid IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine; octanoic acid Traditional Name: caprylic acid; 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-amine Formula: C25H35ClN2O2S MolecularWeight: 463.0756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCCCCCC(=O)O.CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN2S.C8H16O2/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;1-2-3-4-5-6-7-8(9)10/h3-4,6-9,12H,5,10-11H2,1-2H3;2-7H2,1H3,(H,9,10)