N-(3-ethylpent-1-yn-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1,1-diethylprop-2-ynyl)acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O/c1-4-21(5-2,6-3)22-20(24)17-23-14-12-19(13-15-23)16-18-10-8-7-9-11-18/h1,7-11,19H,5-6,12-17H2,2-3H3,(H,22,24)/p+1