(4-tert-butylphenyl)-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium

Systemtic Name: (4-tert-butylphenyl)-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium Openeye Name: (4-tert-butylphenyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: (4-tert-butylphenyl)-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium IUPAC Name: (4-tert-butylphenyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: (4-tert-butylphenyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C27H32ClN2S+ MolecularWeight: 452.07438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[N+](C)(C)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[N+](C)(C)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C27H32ClN2S/c1-27(2,3)20-11-14-22(15-12-20)30(4,5)18-8-17-29-23-9-6-7-10-25(23)31-26-16-13-21(28)19-24(26)29/h6-7,9-16,19H,8,17-18H2,1-5H3/q+1