N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxo-2-(2-thienylmethyl)isoindoline-1-carboxamide CAS Name: N-[3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl]-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-3-oxo-2-(thiophen-2-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-3-keto-2-(2-thenyl)isoindoline-1-carboxamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCNC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4)C

Isomeric SMILES

CC1CCCC([NH+]1CCCNC(=O)C2C3=CC=CC=C3C(=O)N2CC4=CC=CS4)C

InChI

InChI=1S/C24H31N3O2S/c1-17-8-5-9-18(2)26(17)14-7-13-25-23(28)22-20-11-3-4-12-21(20)24(29)27(22)16-19-10-6-15-30-19/h3-4,6,10-12,15,17-18,22H,5,7-9,13-14,16H2,1-2H3,(H,25,28)/p+1