N-methyl-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-N-phenethyl-propanamide

Systemtic Name: N-methyl-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-N-phenethyl-propanamide Openeye Name: N-methyl-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-N-phenethyl-propanamide CAS Name: N-methyl-3-[(3S,4R)-4-(4-morpholin-4-iumyl)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-N-phenethylpropanamide IUPAC Name: N-methyl-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-N-phenethylpropanamide Traditional Name: N-methyl-3-[(3S,4R)-4-morpholin-4-ium-4-yl-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-N-phenethyl-propionamide Formula: C27H40N4O2+2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CCC2C[NH+](CCC2[NH+]3CCOCC3)CC4=CC=CC=N4

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC[C@H]2C[NH+](CC[C@H]2[NH+]3CCOCC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H38N4O2/c1-29(15-12-23-7-3-2-4-8-23)27(32)11-10-24-21-30(22-25-9-5-6-14-28-25)16-13-26(24)31-17-19-33-20-18-31/h2-9,14,24,26H,10-13,15-22H2,1H3/p+2/t24-,26+/m0/s1