(3S)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(3-isopropylisoxazol-5-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3-propan-2-yl-5-isoxazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(3-isopropylisoxazol-5-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C21H37N4O2+ MolecularWeight: 377.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(C)C

Isomeric SMILES

CC(C)C1=NOC(=C1)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(C)C

InChI

InChI=1S/C21H36N4O2/c1-15(2)20-12-19(27-23-20)13-22-21(26)17-6-5-9-25(14-17)18-7-10-24(11-8-18)16(3)4/h12,15-18H,5-11,13-14H2,1-4H3,(H,22,26)/p+1/t17-/m0/s1