(4-azanyl-3-methyl-phenyl)-ethyl-methyl-[2-(sulfoamino)ethyl]azanium

Systemtic Name: (4-azanyl-3-methyl-phenyl)-ethyl-methyl-[2-(sulfoamino)ethyl]azanium Openeye Name: (4-amino-3-methyl-phenyl)-ethyl-methyl-[2-(sulfoamino)ethyl]ammonium CAS Name: (4-amino-3-methylphenyl)-ethyl-methyl-[2-(sulfoamino)ethyl]ammonium IUPAC Name: (4-amino-3-methylphenyl)-ethyl-methyl-[2-(sulfoamino)ethyl]azanium Traditional Name: (4-amino-3-methyl-phenyl)-ethyl-methyl-[2-(sulfoamino)ethyl]ammonium Formula: C12H22N3O3S+ MolecularWeight: 288.38638

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCNS(=O)(=O)O)C1=CC(=C(C=C1)N)C

Isomeric SMILES

CC[N+](C)(CCNS(=O)(=O)O)C1=CC(=C(C=C1)N)C

InChI

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