[(2R)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium

Systemtic Name: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Openeye Name: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-(1-ethoxycarbonyl-4-piperidyl)ammonium CAS Name: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-(1-ethoxycarbonyl-4-piperidinyl)ammonium IUPAC Name: [(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-(1-ethoxycarbonylpiperidin-4-yl)azanium Traditional Name: (1-carbethoxy-4-piperidyl)-[(2R)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]ammonium Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-2-25-19(24)22-11-8-16(9-12-22)21-13-17(23)14-26-18-5-3-15(4-6-18)7-10-20/h3-6,16-17,21,23H,2,7-9,11-14H2,1H3/p+1/t17-/m1/s1