2,5-dimethyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-18-15-23(19(2)29(18)16-22-9-6-14-32-22)25(31)27-21-10-12-28(13-11-21)17-24(30)26-20-7-4-3-5-8-20/h3-9,14-15,21H,10-13,16-17H2,1-2H3,(H,26,30)(H,27,31)/p+1