1-methyl-4-[3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-nitro-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[4-(1-isopropyltetrazol-5-yl)sulfanyl-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[3-nitro-4-[(1-propan-2-yl-5-tetrazolyl)thio]phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[4-[(1-isopropyltetrazol-5-yl)thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C15H22N7O4S2+ MolecularWeight: 428.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O4S2/c1-11(2)21-15(16-17-18-21)27-14-5-4-12(10-13(14)22(23)24)28(25,26)20-8-6-19(3)7-9-20/h4-5,10-11H,6-9H2,1-3H3/p+1