N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; 3,4,5-trimethoxybenzoic acid

Systemtic Name: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; 3,4,5-trimethoxybenzoic acid Openeye Name: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; 3,4,5-trimethoxybenzoic acid CAS Name: N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine; 3,4,5-trimethoxybenzoic acid IUPAC Name: N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine; 3,4,5-trimethoxybenzoic acid Traditional Name: dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)amine; 3,4,5-trimethoxybenzoic acid Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.COC1=CC(=CC(=C1OC)OC)C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.COC1=CC(=CC(=C1OC)OC)C(=O)O

InChI

InChI=1S/C17H20N2S.C10H12O5/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-11,13H,12H2,1-3H3;4-5H,1-3H3,(H,11,12)