N-methyl-1-[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-methyl-1-[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-methyl-1-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-methyl-1-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[allyl(2-thenyl)amino]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC[NH+](CC1)CC(=O)N(CC=C)CC2=CC=CS2

Isomeric SMILES

CNC(=O)C1CC[NH+](CC1)CC(=O)N(CC=C)CC2=CC=CS2

InChI

InChI=1S/C17H25N3O2S/c1-3-8-20(12-15-5-4-11-23-15)16(21)13-19-9-6-14(7-10-19)17(22)18-2/h3-5,11,14H,1,6-10,12-13H2,2H3,(H,18,22)/p+1