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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[methyl(veratryl)amino]ethyl]piperidin-1-ium-4-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+]2CCC(CC2)C(=O)N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H27N3O4/c1-20(11-13-4-5-15(24-2)16(10-13)25-3)17(22)12-21-8-6-14(7-9-21)18(19)23/h4-5,10,14H,6-9,11-12H2,1-3H3,(H2,19,23)/p+1