(3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(homoveratrylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCCC(C2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCC[C@H](C2)C(=O)N)OC

InChI

InChI=1S/C18H27N3O4/c1-24-15-6-5-13(10-16(15)25-2)7-8-20-17(22)12-21-9-3-4-14(11-21)18(19)23/h5-6,10,14H,3-4,7-9,11-12H2,1-2H3,(H2,19,23)(H,20,22)/p+1/t14-/m1/s1