2-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]propanoylamino]thiophene-3-carboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C22H29N3O2S/c1-16-2-4-17(5-3-16)6-7-18-8-12-25(13-9-18)14-10-20(26)24-22-19(21(23)27)11-15-28-22/h2-5,11,15,18H,6-10,12-14H2,1H3,(H2,23,27)(H,24,26)/p+1