[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)C[C@@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H29N3O2/c1-25(17-21(27)18-28-22-11-9-19(15-24)10-12-22)16-20-7-3-4-8-23(20)26-13-5-2-6-14-26/h3-4,7-12,21,27H,2,5-6,13-14,16-18H2,1H3/p+1/t21-/m0/s1