(3S)-N-(1,2-oxazol-3-ylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(1,2-oxazol-3-ylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(isoxazol-3-ylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-isoxazolylmethyl)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1,2-oxazol-3-ylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(isoxazol-3-ylmethyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H34N4O2+2 MolecularWeight: 398.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)NCC4=NOC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)NCC4=NOC=C4

InChI

InChI=1S/C23H32N4O2/c28-23(24-17-21-11-16-29-25-21)20-7-4-12-27(18-20)22-9-14-26(15-10-22)13-8-19-5-2-1-3-6-19/h1-3,5-6,11,16,20,22H,4,7-10,12-15,17-18H2,(H,24,28)/p+2/t20-/m0/s1