(3S)-N-(4-butoxy-2-methyl-phenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(4-butoxy-2-methyl-phenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(4-butoxy-2-methyl-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(4-butoxy-2-methylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(4-butoxy-2-methylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-butoxy-2-methyl-phenyl)piperidin-1-ium-3-carboxamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-3-4-10-21-15-7-8-16(13(2)11-15)19-17(20)14-6-5-9-18-12-14/h7-8,11,14,18H,3-6,9-10,12H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1