(3S)-1-[(2,4-dimethylphenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2,4-dimethylphenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2,4-dimethylphenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2,4-dimethylphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2,4-dimethylphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2,4-dimethylbenzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C19H30N2O/c1-5-21(6-2)19(22)18-8-7-11-20(14-18)13-17-10-9-15(3)12-16(17)4/h9-10,12,18H,5-8,11,13-14H2,1-4H3/p+1/t18-/m0/s1