N-[1-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2S)-2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(2S)-3-(2-allylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzamide Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H30N2O3/c1-2-8-19-9-6-7-12-23(19)29-18-22(27)17-26-15-13-21(14-16-26)25-24(28)20-10-4-3-5-11-20/h2-7,9-12,21-22,27H,1,8,13-18H2,(H,25,28)/p+1/t22-/m0/s1