1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1,4-diazepan-4-ium IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1,4-diazepan-4-ium Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-4-ium Formula: C12H17ClN3O4S+ MolecularWeight: 334.79908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCC[NH2+]CC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCC[NH2+]CC2)Cl

InChI

InChI=1S/C12H16ClN3O4S/c1-9-11(13)7-10(8-12(9)16(17)18)21(19,20)15-5-2-3-14-4-6-15/h7-8,14H,2-6H2,1H3/p+1