(3S)-N,N-diethyl-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-3-carboxamide Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2C)OC)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2C)OC)C

InChI

InChI=1S/C20H32N2O2/c1-6-22(7-2)20(23)17-9-8-10-21(13-17)14-18-11-16(4)19(24-5)12-15(18)3/h11-12,17H,6-10,13-14H2,1-5H3/p+1/t17-/m0/s1