[3-[(dimethylazaniumyl)methyl]-2-oxidanyl-5-[(2S)-pentan-2-yl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [3-[(dimethylazaniumyl)methyl]-2-oxidanyl-5-[(2S)-pentan-2-yl]phenyl]methyl-dimethyl-azanium Openeye Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-[(1S)-1-methylbutyl]phenyl]methyl-dimethyl-ammonium CAS Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-[(2S)-pentan-2-yl]phenyl]methyl-dimethylammonium IUPAC Name: [3-[(dimethylazaniumyl)methyl]-2-hydroxy-5-[(2S)-pentan-2-yl]phenyl]methyl-dimethylazanium Traditional Name: [3-[(dimethylammonio)methyl]-2-hydroxy-5-[(1S)-1-methylbutyl]benzyl]-dimethyl-ammonium Formula: C17H32N2O+2 MolecularWeight: 280.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC(=C(C(=C1)C[NH+](C)C)O)C[NH+](C)C

Isomeric SMILES

CCC[C@H](C)C1=CC(=C(C(=C1)C[NH+](C)C)O)C[NH+](C)C

InChI

InChI=1S/C17H30N2O/c1-7-8-13(2)14-9-15(11-18(3)4)17(20)16(10-14)12-19(5)6/h9-10,13,20H,7-8,11-12H2,1-6H3/p+2/t13-/m0/s1