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

Systemtic Name: 2,2-bis[3-methyl-2,4-bis(oxidanyl)phenyl]ethyl-methyl-azanium Openeye Name: 2,2-bis(2,4-dihydroxy-3-methyl-phenyl)ethyl-methyl-ammonium CAS Name: 2,2-bis(2,4-dihydroxy-3-methylphenyl)ethyl-methylammonium IUPAC Name: 2,2-bis(2,4-dihydroxy-3-methylphenyl)ethyl-methylazanium Traditional Name: 2,2-bis(2,4-dihydroxy-3-methyl-phenyl)ethyl-methyl-ammonium Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(C[NH2+]C)C2=C(C(=C(C=C2)O)C)O)O

Isomeric SMILES

CC1=C(C=CC(=C1O)C(C[NH2+]C)C2=C(C(=C(C=C2)O)C)O)O

InChI

InChI=1S/C17H21NO4/c1-9-14(19)6-4-11(16(9)21)13(8-18-3)12-5-7-15(20)10(2)17(12)22/h4-7,13,18-22H,8H2,1-3H3/p+1