4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1-phenylcyclopropyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1-phenylcyclopropyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-methylisoxazol-5-yl)methyl]-N-[(1-phenylcyclopropyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-methyl-5-isoxazolyl)methyl]-N-[(1-phenylcyclopropyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1-phenylcyclopropyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(3-methylisoxazol-5-yl)methyl]-N-[(1-phenylcyclopropyl)methyl]piperazin-4-ium-1-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+]2CCN(CC2)C(=O)NCC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)C[NH+]2CCN(CC2)C(=O)NCC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N4O2/c1-16-13-18(26-22-16)14-23-9-11-24(12-10-23)19(25)21-15-20(7-8-20)17-5-3-2-4-6-17/h2-6,13H,7-12,14-15H2,1H3,(H,21,25)/p+1