1-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(propylcarbamoylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(propylcarbamoylamino)ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(propylcarbamoylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)NC(=O)C[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H26N4O3/c1-2-10-19-18(25)21-16(23)13-22-11-8-14(9-12-22)17(24)20-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,20,24)(H2,19,21,23,25)/p+1