1-[4-[4-(3-azidophenothiazin-10-yl)butyl]-4-methyl-piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[4-(3-azidophenothiazin-10-yl)butyl]-4-methyl-piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[4-(3-azidophenothiazin-10-yl)butyl]-4-methyl-piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[4-(3-azido-10-phenothiazinyl)butyl]-4-methyl-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[4-(3-azidophenothiazin-10-yl)butyl]-4-methylpiperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[4-(3-azidophenothiazin-10-yl)butyl]-4-methyl-piperazin-4-ium-1-yl]ethanone Formula: C23H29N6OS+ MolecularWeight: 437.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](CC1)(C)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42

Isomeric SMILES

CC(=O)N1CC[N+](CC1)(C)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42

InChI

InChI=1S/C23H29N6OS/c1-18(30)27-12-15-29(2,16-13-27)14-6-5-11-28-20-7-3-4-8-22(20)31-23-17-19(25-26-24)9-10-21(23)28/h3-4,7-10,17H,5-6,11-16H2,1-2H3/q+1