1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[(3S)-oxolan-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[(3S)-oxolan-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-[(3S)-tetrahydrofuran-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-[(3S)-3-oxolanyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-[(3S)-oxolan-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-[(3S)-tetrahydrofuran-3-yl]piperidin-1-ium-4-carboxamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2CCOC2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1COC[C@H]1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H30N4O3/c27-21(23-17-9-14-28-15-17)16-5-10-25(11-6-16)18-7-12-26(13-8-18)22-24-19-3-1-2-4-20(19)29-22/h1-4,16-18H,5-15H2,(H,23,27)/p+1/t17-/m0/s1