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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O4/c1-20(10-13-6-7-15(24-2)16(9-13)25-3)17(22)12-21-8-4-5-14(11-21)18(19)23/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H2,19,23)/p+1/t14-/m1/s1