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

Systemtic Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[ethyl(veratryl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-4-22(12-14-5-6-16(25-2)17(11-14)26-3)18(23)13-21-9-7-15(8-10-21)19(20)24/h5-6,11,15H,4,7-10,12-13H2,1-3H3,(H2,20,24)/p+1