[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: [(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-(1-carbethoxy-4-piperidyl)ammonium Formula: C21H35N2O4+ MolecularWeight: 379.5136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-5-26-20(25)23-12-10-17(11-13-23)22-14-18(24)15-27-19-8-6-16(7-9-19)21(2,3)4/h6-9,17-18,22,24H,5,10-15H2,1-4H3/p+1/t18-/m1/s1