methyl-(phenylmethyl)-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-(3-phenylpropioloyl)-3-piperidyl]ammonium Formula: C22H25N2O+ MolecularWeight: 333.4467

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O/c1-23(17-20-11-6-3-7-12-20)21-13-8-16-24(18-21)22(25)15-14-19-9-4-2-5-10-19/h2-7,9-12,21H,8,13,16-18H2,1H3/p+1/t21-/m0/s1