(3R,4R)-1-methyl-4-oxidanyl-N-(3-phenylprop-2-ynyl)-N-propyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R,4R)-1-methyl-4-oxidanyl-N-(3-phenylprop-2-ynyl)-N-propyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R,4R)-4-hydroxy-1-methyl-N-(3-phenylprop-2-ynyl)-N-propyl-piperidin-1-ium-3-carboxamide CAS Name: (3R,4R)-4-hydroxy-1-methyl-N-(3-phenylprop-2-ynyl)-N-propyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R,4R)-4-hydroxy-1-methyl-N-(3-phenylprop-2-ynyl)-N-propylpiperidin-1-ium-3-carboxamide Traditional Name: (3R,4R)-4-hydroxy-1-methyl-N-(3-phenylprop-2-ynyl)-N-propyl-piperidin-1-ium-3-carboxamide Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC#CC1=CC=CC=C1)C(=O)C2C[NH+](CCC2O)C

Isomeric SMILES

CCCN(CC#CC1=CC=CC=C1)C(=O)[C@@H]2C[NH+](CC[C@H]2O)C

InChI

InChI=1S/C19H26N2O2/c1-3-12-21(13-7-10-16-8-5-4-6-9-16)19(23)17-15-20(2)14-11-18(17)22/h4-6,8-9,17-18,22H,3,11-15H2,1-2H3/p+1/t17-,18-/m1/s1