N-tert-butyl-2-[4-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-[(2R)-2-(2-thienyl)pyrrolidino]ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H35N4O2S+ MolecularWeight: 407.5932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCCC2C3=CC=CS3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)N2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C21H34N4O2S/c1-21(2,3)22-19(26)15-23-9-6-10-24(13-12-23)16-20(27)25-11-4-7-17(25)18-8-5-14-28-18/h5,8,14,17H,4,6-7,9-13,15-16H2,1-3H3,(H,22,26)/p+1/t17-/m1/s1