3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(2-oxidanylidene-2-pyren-1-yl-ethyl)azanium

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(2-oxidanylidene-2-pyren-1-yl-ethyl)azanium Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(2-oxo-2-pyren-1-yl-ethyl)ammonium CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-[2-oxo-2-(1-pyrenyl)ethyl]ammonium IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-(2-oxo-2-pyren-1-ylethyl)azanium Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-(2-keto-2-pyren-1-yl-ethyl)-dimethyl-ammonium Formula: C35H30ClN2OS+ MolecularWeight: 562.1435

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC(=O)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC(=O)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

InChI

InChI=1S/C35H30ClN2OS/c1-38(2,20-6-19-37-29-9-3-4-10-32(29)40-33-18-15-26(36)21-30(33)37)22-31(39)27-16-13-25-12-11-23-7-5-8-24-14-17-28(27)35(25)34(23)24/h3-5,7-18,21H,6,19-20,22H2,1-2H3/q+1