[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[[3-(hydroxymethyl)-2,4,6-trimethyl-phenyl]methyl]ammonium CAS Name: [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-(2,4,6-trimethyl-3-methylol-benzyl)ammonium Formula: C18H32NO+ MolecularWeight: 278.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C[NH2+]C(C)CCC(C)C)C)CO)C

Isomeric SMILES

CC1=CC(=C(C(=C1C[NH2+][C@@H](C)CCC(C)C)C)CO)C

InChI

InChI=1S/C18H31NO/c1-12(2)7-8-15(5)19-10-17-13(3)9-14(4)18(11-20)16(17)6/h9,12,15,19-20H,7-8,10-11H2,1-6H3/p+1/t15-/m0/s1