N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[(3-methylisoxazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-[(3-methyl-5-isoxazolyl)methyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[(3-methylisoxazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CNC(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)CNC(=O)C2CCN(CC2)C3CC[NH+](CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H36N4O2/c1-20-18-24(31-27-20)19-26-25(30)22-9-16-29(17-10-22)23-11-14-28(15-12-23)13-5-8-21-6-3-2-4-7-21/h2-4,6-7,18,22-23H,5,8-17,19H2,1H3,(H,26,30)/p+1