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

Systemtic Name: 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(p-tolylcarbamoylamino)piperidin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-[[(4-methylanilino)-oxomethyl]amino]-1-piperidin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(p-tolylcarbamoylamino)piperidin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H26N4O2S/c1-15-4-6-16(7-5-15)22-20(26)23-17-8-10-24(11-9-17)14-19(25)21-13-18-3-2-12-27-18/h2-7,12,17H,8-11,13-14H2,1H3,(H,21,25)(H2,22,23,26)/p+1