4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 4-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]butyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 4-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]butyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: 4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 4-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]butyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: 4-(4-tert-amyl-2-chloro-phenoxy)butyl-[(2S)-2-hydroxypropyl]ammonium Formula: C18H31ClNO2+ MolecularWeight: 328.89724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[NH2+]CC(C)O)Cl

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[NH2+]C[C@H](C)O)Cl

InChI

InChI=1S/C18H30ClNO2/c1-5-18(3,4)15-8-9-17(16(19)12-15)22-11-7-6-10-20-13-14(2)21/h8-9,12,14,20-21H,5-7,10-11,13H2,1-4H3/p+1/t14-/m0/s1