(2,4-dimethylphenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (2,4-dimethylphenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2,4-dimethylbenzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=C(C=C(C=C1)C)C

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=C(C=C(C=C1)C)C

InChI

InChI=1S/C13H21NO/c1-4-13(9-15)14-8-12-6-5-10(2)7-11(12)3/h5-7,13-15H,4,8-9H2,1-3H3/p+1/t13-/m1/s1