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

Systemtic Name: (3S)-N-(1,2-oxazol-3-ylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-isoxazolylmethyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(isoxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H32N4O2+2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4=NOC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)NCC4=NOC=C4

InChI

InChI=1S/C22H30N4O2/c27-22(23-15-20-10-14-28-24-20)19-7-4-11-26(17-19)21-8-12-25(13-9-21)16-18-5-2-1-3-6-18/h1-3,5-6,10,14,19,21H,4,7-9,11-13,15-17H2,(H,23,27)/p+2/t19-/m0/s1