(3S)-N-(2-methyl-6-propan-2-yl-phenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-methyl-6-propan-2-yl-phenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-isopropyl-6-methyl-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-methyl-6-propan-2-ylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-methyl-6-propan-2-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-isopropyl-6-methyl-phenyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C16H24N2O/c1-11(2)14-8-4-6-12(3)15(14)18-16(19)13-7-5-9-17-10-13/h4,6,8,11,13,17H,5,7,9-10H2,1-3H3,(H,18,19)/p+1/t13-/m0/s1