1-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C16H23ClN3O2S+ MolecularWeight: 356.89072

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H22ClN3O2S/c1-2-7-20(10-13-3-4-14(17)23-13)15(21)11-19-8-5-12(6-9-19)16(18)22/h2-4,12H,1,5-11H2,(H2,18,22)/p+1