[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium CAS Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-(3-isopropoxypropyl)ammonium Formula: C20H36NO3+ MolecularWeight: 338.50474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(C[NH2+]CCCOC(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](C[NH2+]CCCOC(C)C)O

InChI

InChI=1S/C20H35NO3/c1-15(2)23-11-7-10-21-13-18(22)14-24-19-9-8-17(12-16(19)3)20(4,5)6/h8-9,12,15,18,21-22H,7,10-11,13-14H2,1-6H3/p+1/t18-/m0/s1