[4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-6-methyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-[1,3]thiazolo[5,4-c]pyridin-5-ium-5-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-6-methyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-[1,3]thiazolo[5,4-c]pyridin-5-ium-5-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(5-chloro-1H-indol-2-yl)sulfonyl]-6-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]thiazolo[5,4-c]pyridin-5-ium-5-yl]-piperazin-1-yl-methanone CAS Name: [4-[(5-chloro-1H-indol-2-yl)sulfonyl]-6-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]-5-thiazolo[5,4-c]pyridin-5-iumyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(5-chloro-1H-indol-2-yl)sulfonyl]-6-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]-[1,3]thiazolo[5,4-c]pyridin-5-ium-5-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(5-chloro-1H-indol-2-yl)sulfonyl]-6-methyl-2-[2-(2H-tetrazol-5-yl)ethyl]thiazolo[5,4-c]pyridin-5-ium-5-yl]-piperazino-methanone Formula: C23H23ClN9O3S2+ MolecularWeight: 573.07022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C2C(=C1)N=C(S2)CCC3=NNN=N3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl)C(=O)N6CCNCC6

Isomeric SMILES

CC1=[N+](C(=C2C(=C1)N=C(S2)CCC3=NNN=N3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl)C(=O)N6CCNCC6

InChI

InChI=1S/C23H23ClN9O3S2/c1-13-10-17-21(37-19(26-17)5-4-18-28-30-31-29-18)22(33(13)23(34)32-8-6-25-7-9-32)38(35,36)20-12-14-11-15(24)2-3-16(14)27-20/h2-3,10-12,25,27H,4-9H2,1H3,(H,28,29,30,31)/q+1