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

Systemtic Name: 1-[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(butylcarbamoylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(butylcarbamoylamino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C19H29N4O3+ MolecularWeight: 361.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3/c1-2-3-11-20-19(26)22-17(24)14-23-12-9-15(10-13-23)18(25)21-16-7-5-4-6-8-16/h4-8,15H,2-3,9-14H2,1H3,(H,21,25)(H2,20,22,24,26)/p+1