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

Systemtic Name: (3S)-N-(1,2-oxazol-3-ylmethyl)-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(isoxazol-3-ylmethyl)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-isoxazolylmethyl)-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(1,2-oxazol-3-ylmethyl)-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(isoxazol-3-ylmethyl)-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3)C(=O)NCC4=NOC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(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+1/t20-/m0/s1