2,5-bis(azanyl)-3-methyl-5-[2-(methyl-propan-2-yl-sulfinato-azaniumyl)ethyl]cyclohexa-1,3-diene

Systemtic Name: 2,5-bis(azanyl)-3-methyl-5-[2-(methyl-propan-2-yl-sulfinato-azaniumyl)ethyl]cyclohexa-1,3-diene Openeye Name: 2,5-diamino-5-[2-(isopropyl-methyl-sulfinato-ammonio)ethyl]-3-methyl-cyclohexa-1,3-diene CAS Name: 2,5-diamino-3-methyl-5-[2-(methyl-propan-2-yl-sulfinatoammonio)ethyl]cyclohexa-1,3-diene IUPAC Name: 2,5-diamino-3-methyl-5-[2-(methyl-propan-2-yl-sulfinatoazaniumyl)ethyl]cyclohexa-1,3-diene Traditional Name: 2,5-diamino-5-[2-(isopropyl-methyl-sulfinato-ammonio)ethyl]-3-methyl-cyclohexa-1,3-diene Formula: C13H25N3O2S MolecularWeight: 287.4215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(CC=C1N)(CC[N+](C)(C(C)C)S(=O)[O-])N

Isomeric SMILES

CC1=CC(CC=C1N)(CC[N+](C)(C(C)C)S(=O)[O-])N

InChI

InChI=1S/C13H25N3O2S/c1-10(2)16(4,19(17)18)8-7-13(15)6-5-12(14)11(3)9-13/h5,9-10H,6-8,14-15H2,1-4H3