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

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-propan-2-yl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-propan-2-ylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-3-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)NC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H30N4O2/c1-15(2)22-20(26)16-6-5-11-25(14-16)17-9-12-24(13-10-17)21-23-18-7-3-4-8-19(18)27-21/h3-4,7-8,15-17H,5-6,9-14H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1