N-(1-ethylpiperidin-1-ium-4-yl)-3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-3-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]propanamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)propionamide Formula: C21H31N4O5S+ MolecularWeight: 451.55964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O

InChI

InChI=1S/C21H30N4O5S/c1-2-23-12-7-16(8-13-23)22-20(26)9-14-25-18-6-5-17(15-19(18)30-21(25)27)31(28,29)24-10-3-4-11-24/h5-6,15-16H,2-4,7-14H2,1H3,(H,22,26)/p+1