2-[2,4-bis(azanyl)-3-methyl-phenyl]ethyl-ethyl-methyl-sulfo-azanium

Systemtic Name: 2-[2,4-bis(azanyl)-3-methyl-phenyl]ethyl-ethyl-methyl-sulfo-azanium Openeye Name: 2-(2,4-diamino-3-methyl-phenyl)ethyl-ethyl-methyl-sulfo-ammonium CAS Name: 2-(2,4-diamino-3-methylphenyl)ethyl-ethyl-methyl-sulfoammonium IUPAC Name: 2-(2,4-diamino-3-methylphenyl)ethyl-ethyl-methyl-sulfoazanium Traditional Name: 2-(2,4-diamino-3-methyl-phenyl)ethyl-ethyl-methyl-sulfo-ammonium Formula: C12H22N3O3S+ MolecularWeight: 288.38638

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCC1=C(C(=C(C=C1)N)C)N)S(=O)(=O)O

Isomeric SMILES

CC[N+](C)(CCC1=C(C(=C(C=C1)N)C)N)S(=O)(=O)O

InChI

InChI=1S/C12H21N3O3S/c1-4-15(3,19(16,17)18)8-7-10-5-6-11(13)9(2)12(10)14/h5-6H,4,7-8,13-14H2,1-3H3/p+1