acridin-9-ylmethyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium

Systemtic Name: acridin-9-ylmethyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium Openeye Name: acridin-9-ylmethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: 9-acridinylmethyl-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium IUPAC Name: acridin-9-ylmethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: acridin-9-ylmethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C31H29ClN3S+ MolecularWeight: 511.10006

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=C5C=CC=CC5=NC6=CC=CC=C64

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=C5C=CC=CC5=NC6=CC=CC=C64

InChI

InChI=1S/C31H29ClN3S/c1-35(2,21-25-23-10-3-5-12-26(23)33-27-13-6-4-11-24(25)27)19-9-18-34-28-14-7-8-15-30(28)36-31-17-16-22(32)20-29(31)34/h3-8,10-17,20H,9,18-19,21H2,1-2H3/q+1