N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-3-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 3-(2-ketopyrrolidino)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C21H26N4O2S/c1-15-5-3-9-24(12-15)13-17-14-28-21(22-17)23-20(27)16-6-2-7-18(11-16)25-10-4-8-19(25)26/h2,6-7,11,14-15H,3-5,8-10,12-13H2,1H3,(H,22,23,27)/p+1/t15-/m0/s1