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

Systemtic Name: (4-tert-butylphenyl)methyl-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: (4-tert-butylbenzyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C28H34ClN2S+ MolecularWeight: 466.10096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClN2S/c1-28(2,3)22-13-11-21(12-14-22)20-31(4,5)18-8-17-30-24-9-6-7-10-26(24)32-27-16-15-23(29)19-25(27)30/h6-7,9-16,19H,8,17-18,20H2,1-5H3/q+1