3-[7-chloranyl-2-(4-ethyl-4-methyl-2H-1,2,3,4-tetrazol-4-ium-3-yl)phenothiazin-10-yl]-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-[7-chloranyl-2-(4-ethyl-4-methyl-2H-1,2,3,4-tetrazol-4-ium-3-yl)phenothiazin-10-yl]-N,N-dimethyl-propan-1-amine Openeye Name: 3-[7-chloro-2-(4-ethyl-4-methyl-2H-tetrazol-4-ium-3-yl)phenothiazin-10-yl]-N,N-dimethyl-propan-1-amine CAS Name: 3-[7-chloro-2-(4-ethyl-4-methyl-2H-tetrazol-4-ium-3-yl)-10-phenothiazinyl]-N,N-dimethyl-1-propanamine IUPAC Name: 3-[7-chloro-2-(4-ethyl-4-methyl-2H-tetrazol-4-ium-3-yl)phenothiazin-10-yl]-N,N-dimethylpropan-1-amine Traditional Name: 3-[7-chloro-2-(4-ethyl-4-methyl-2H-tetrazol-4-ium-3-yl)phenothiazin-10-yl]propyl-dimethyl-amine Formula: C21H28ClN6S+ MolecularWeight: 432.00522

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=NNN1C2=CC3=C(C=C2)SC4=C(N3CCCN(C)C)C=CC(=C4)Cl)C

Isomeric SMILES

CC[N+]1(C=NNN1C2=CC3=C(C=C2)SC4=C(N3CCCN(C)C)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H28ClN6S/c1-5-28(4)15-23-24-27(28)17-8-10-20-19(14-17)26(12-6-11-25(2)3)18-9-7-16(22)13-21(18)29-20/h7-10,13-15,24H,5-6,11-12H2,1-4H3/q+1