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

Systemtic Name: 5-azanyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-phenylthiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(4-phenyl-2-thiazolyl)-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-phenyl-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-phenylthiazol-2-yl)-2-pyrrolin-1-ium-3-one Formula: C25H28N4OS+2 MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c26-24-23(25-27-21(17-31-25)19-9-5-2-6-10-19)22(30)16-29(24)20-11-13-28(14-12-20)15-18-7-3-1-4-8-18/h1-10,17,20H,11-16,26H2/p+2