tert-butyl-[(2R)-3-(7-chloranyl-2,3-dimethyl-indol-1-yl)-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[(2R)-3-(7-chloranyl-2,3-dimethyl-indol-1-yl)-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2R)-3-(7-chloro-2,3-dimethyl-indol-1-yl)-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[(2R)-3-(7-chloro-2,3-dimethyl-1-indolyl)-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[(2R)-3-(7-chloro-2,3-dimethylindol-1-yl)-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[(2R)-3-(7-chloro-2,3-dimethyl-indol-1-yl)-2-hydroxy-propyl]ammonium Formula: C17H26ClN2O+ MolecularWeight: 309.85414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=CC=C2Cl)CC(C[NH2+]C(C)(C)C)O)C

Isomeric SMILES

CC1=C(N(C2=C1C=CC=C2Cl)C[C@@H](C[NH2+]C(C)(C)C)O)C

InChI

InChI=1S/C17H25ClN2O/c1-11-12(2)20(10-13(21)9-19-17(3,4)5)16-14(11)7-6-8-15(16)18/h6-8,13,19,21H,9-10H2,1-5H3/p+1/t13-/m1/s1