(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-isopropylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-propan-2-ylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-isopropylbenzyl)piperidin-1-ium-3-carboxamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)10-18-9-3-4-15(11-18)16(17)19/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,17,19)/p+1/t15-/m0/s1