1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-butyl-imidazolidine-2,4,5-trione

Systemtic Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-butyl-imidazolidine-2,4,5-trione Openeye Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-butyl-imidazolidine-2,4,5-trione CAS Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3-butylimidazolidine-2,4,5-trione IUPAC Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-butylimidazolidine-2,4,5-trione Traditional Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-butyl-imidazolidine-2,4,5-trione Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O3S/c1-2-3-11-23-18(25)19(26)24(20(23)27)13-22-10-6-7-14(12-22)17-21-15-8-4-5-9-16(15)28-17/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3/p+1/t14-/m1/s1