(3S)-N-(2,5-diethoxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2,5-diethoxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2,5-diethoxyphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2,5-diethoxyphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2,5-diethoxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2,5-diethoxyphenyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H24N2O3/c1-3-20-13-7-8-15(21-4-2)14(10-13)18-16(19)12-6-5-9-17-11-12/h7-8,10,12,17H,3-6,9,11H2,1-2H3,(H,18,19)/p+1/t12-/m0/s1