dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)-[(4-nitrophenyl)methyl]azanium

Systemtic Name: dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)-[(4-nitrophenyl)methyl]azanium Openeye Name: dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)-[(4-nitrophenyl)methyl]ammonium CAS Name: dimethyl-[2-methyl-3-(10-phenothiazinyl)propyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: dimethyl-(2-methyl-3-phenothiazin-10-ylpropyl)-[(4-nitrophenyl)methyl]azanium Traditional Name: dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)-(4-nitrobenzyl)ammonium Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)C[N+](C)(C)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)C[N+](C)(C)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N3O2S/c1-19(17-28(2,3)18-20-12-14-21(15-13-20)27(29)30)16-26-22-8-4-6-10-24(22)31-25-11-7-5-9-23(25)26/h4-15,19H,16-18H2,1-3H3/q+1