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

Systemtic Name: methyl-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-23(15-18-8-3-4-11-22(18)24-12-5-2-6-13-24)16-20(26)17-29-21-10-7-9-19(14-21)25(27)28/h3-4,7-11,14,20,26H,2,5-6,12-13,15-17H2,1H3/p+1/t20-/m0/s1