[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-(1-carbethoxy-4-piperidyl)ammonium Formula: C22H37N2O4+ MolecularWeight: 393.54018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH2+]CC(COC2=C(C=C(C=C2)C(C)(C)C)C)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH2+]C[C@@H](COC2=C(C=C(C=C2)C(C)(C)C)C)O

InChI

InChI=1S/C22H36N2O4/c1-6-27-21(26)24-11-9-18(10-12-24)23-14-19(25)15-28-20-8-7-17(13-16(20)2)22(3,4)5/h7-8,13,18-19,23,25H,6,9-12,14-15H2,1-5H3/p+1/t19-/m0/s1