N-[1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-4-21(5-2,6-3)23-19(25)16-24-14-12-18(13-15-24)22-20(26)17-10-8-7-9-11-17/h1,7-11,18H,5-6,12-16H2,2-3H3,(H,22,26)(H,23,25)/p+1