[(2R)-butan-2-yl]-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]azanium

Systemtic Name: [(2R)-butan-2-yl]-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]azanium Openeye Name: 4-(4-chloro-3-ethyl-phenoxy)butyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[4-(4-chloro-3-ethylphenoxy)butyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[4-(4-chloro-3-ethylphenoxy)butyl]azanium Traditional Name: 4-(4-chloro-3-ethyl-phenoxy)butyl-[(1R)-1-methylpropyl]ammonium Formula: C16H27ClNO+ MolecularWeight: 284.84468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCC[NH2+]C(C)CC)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCC[NH2+][C@H](C)CC)Cl

InChI

InChI=1S/C16H26ClNO/c1-4-13(3)18-10-6-7-11-19-15-8-9-16(17)14(5-2)12-15/h8-9,12-13,18H,4-7,10-11H2,1-3H3/p+1/t13-/m1/s1