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

Systemtic Name: (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(3-ethylisoxazol-5-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3-ethyl-5-isoxazolyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(3-ethylisoxazol-5-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C20H35N4O2+ MolecularWeight: 363.5175

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(C)C

Isomeric SMILES

CCC1=NOC(=C1)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(C)C

InChI

InChI=1S/C20H34N4O2/c1-4-17-12-19(26-22-17)13-21-20(25)16-6-5-9-24(14-16)18-7-10-23(11-8-18)15(2)3/h12,15-16,18H,4-11,13-14H2,1-3H3,(H,21,25)/p+1/t16-/m0/s1