(3S)-N-(3-butoxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-butoxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-butoxyphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-butoxyphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-butoxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-butoxyphenyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H24N2O2/c1-2-3-10-20-15-8-4-7-14(11-15)18-16(19)13-6-5-9-17-12-13/h4,7-8,11,13,17H,2-3,5-6,9-10,12H2,1H3,(H,18,19)/p+1/t13-/m0/s1