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

Systemtic Name: methyl-phenethyl-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-(3-phenylpropioloyl)-3-piperidyl]ammonium Formula: C23H27N2O+ MolecularWeight: 347.47328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O/c1-24(18-16-21-11-6-3-7-12-21)22-13-8-17-25(19-22)23(26)15-14-20-9-4-2-5-10-20/h2-7,9-12,22H,8,13,16-19H2,1H3/p+1/t22-/m0/s1