N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-fluorophenyl)-2-[4-(p-tolylcarbamoylamino)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-fluorophenyl)-2-[4-[[(4-methylanilino)-oxomethyl]amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-fluorophenyl)-2-[4-(p-tolylcarbamoylamino)piperidin-1-ium-1-yl]acetamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O2/c1-15-6-8-16(9-7-15)23-21(28)24-17-10-12-26(13-11-17)14-20(27)25-19-5-3-2-4-18(19)22/h2-9,17H,10-14H2,1H3,(H,25,27)(H2,23,24,28)/p+1