2-[[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonio]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxypropyl]azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2R)-3-(4-cyanophenoxy)-2-hydroxy-propyl]ammonio]ethyl-diisopropyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC[NH2+]CC(COC1=CC=C(C=C1)C#N)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[NH2+]C[C@H](COC1=CC=C(C=C1)C#N)O)C(C)C

InChI

InChI=1S/C18H29N3O2/c1-14(2)21(15(3)4)10-9-20-12-17(22)13-23-18-7-5-16(11-19)6-8-18/h5-8,14-15,17,20,22H,9-10,12-13H2,1-4H3/p+2/t17-/m1/s1