1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H27N3O2S/c1-14-12-18(15(2)23(14)10-7-17-4-3-11-26-17)19(24)13-22-8-5-16(6-9-22)20(21)25/h3-4,11-12,16H,5-10,13H2,1-2H3,(H2,21,25)/p+1