5-azanyl-4-(4-methyl-1,3-thiazol-2-yl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-4-(4-methyl-1,3-thiazol-2-yl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-methylthiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-4-(4-methyl-2-thiazolyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-methylthiazol-2-yl)-2-pyrrolin-1-ium-3-one Formula: C20H26N4OS+2 MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=C([NH+](CC2=O)C3CC[NH+](CC3)CC4=CC=CC=C4)N

Isomeric SMILES

CC1=CSC(=N1)C2=C([NH+](CC2=O)C3CC[NH+](CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C20H24N4OS/c1-14-13-26-20(22-14)18-17(25)12-24(19(18)21)16-7-9-23(10-8-16)11-15-5-3-2-4-6-15/h2-6,13,16H,7-12,21H2,1H3/p+2