[(2R)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [(2R)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: [(2R)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: [(2R)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [(2R)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: [(2R)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C19H29ClN3O2+ MolecularWeight: 366.90546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(C[NH2+]CCCN2C=CN=C2)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC[C@@H](C[NH2+]CCCN2C=CN=C2)O

InChI

InChI=1S/C19H28ClN3O2/c1-14(2)17-10-18(20)15(3)9-19(17)25-12-16(24)11-21-5-4-7-23-8-6-22-13-23/h6,8-10,13-14,16,21,24H,4-5,7,11-12H2,1-3H3/p+1/t16-/m1/s1