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

Systemtic Name: 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]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 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]piperidin-1-ium-4-carboxamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H23N3O2S/c1-2-7-19(11-14-4-3-10-22-14)15(20)12-18-8-5-13(6-9-18)16(17)21/h2-4,10,13H,1,5-9,11-12H2,(H2,17,21)/p+1