N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propanamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propanamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(3R)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]propanamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-(3-phenylpropioloyl)-3-piperidyl]propionamide Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)CCC2CCCN(C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)CC[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-25-17-14-22(15-18-25)26(2)23(28)12-11-21-9-6-16-27(19-21)24(29)13-10-20-7-4-3-5-8-20/h3-5,7-8,21-22H,6,9,11-12,14-19H2,1-2H3/p+1/t21-/m1/s1