[3-[(4-butan-2-ylphenyl)methylamino]-2-oxidanyl-propyl]-trimethyl-azanium

Systemtic Name: [3-[(4-butan-2-ylphenyl)methylamino]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [2-hydroxy-3-[(4-sec-butylphenyl)methylamino]propyl]-trimethyl-ammonium CAS Name: [3-[(4-butan-2-ylphenyl)methylamino]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[(4-butan-2-ylphenyl)methylamino]-2-hydroxypropyl]-trimethylazanium Traditional Name: [2-hydroxy-3-[(4-sec-butylbenzyl)amino]propyl]-trimethyl-ammonium Formula: C17H31N2O+ MolecularWeight: 279.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CNCC(C[N+](C)(C)C)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CNCC(C[N+](C)(C)C)O

InChI

InChI=1S/C17H31N2O/c1-6-14(2)16-9-7-15(8-10-16)11-18-12-17(20)13-19(3,4)5/h7-10,14,17-18,20H,6,11-13H2,1-5H3/q+1