(4-azanyl-3-methyl-phenyl)-ethyl-(2-methoxyethyl)-sulfo-azanium

Systemtic Name: (4-azanyl-3-methyl-phenyl)-ethyl-(2-methoxyethyl)-sulfo-azanium Openeye Name: (4-amino-3-methyl-phenyl)-ethyl-(2-methoxyethyl)-sulfo-ammonium CAS Name: (4-amino-3-methylphenyl)-ethyl-(2-methoxyethyl)-sulfoammonium IUPAC Name: (4-amino-3-methylphenyl)-ethyl-(2-methoxyethyl)-sulfoazanium Traditional Name: (4-amino-3-methyl-phenyl)-ethyl-(2-methoxyethyl)-sulfo-ammonium Formula: C12H21N2O4S+ MolecularWeight: 289.37114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-4-14(7-8-18-3,19(15,16)17)11-5-6-12(13)10(2)9-11/h5-6,9H,4,7-8,13H2,1-3H3/p+1