5-azanyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2H-pyrrol-3-one

Systemtic Name: 5-azanyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2H-pyrrol-3-one Openeye Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-[4-(4-methoxyphenyl)thiazol-2-yl]-2H-pyrrol-3-one CAS Name: 5-amino-4-[4-(4-methoxyphenyl)-2-thiazolyl]-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2H-pyrrol-3-one IUPAC Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-pyrrol-3-one Traditional Name: 5-amino-1-(1-benzylpiperidin-1-ium-4-yl)-4-[4-(4-methoxyphenyl)thiazol-2-yl]-2-pyrrolin-3-one Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4CC[NH+](CC4)CC5=CC=CC=C5)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)C3=C(N(CC3=O)C4CC[NH+](CC4)CC5=CC=CC=C5)N

InChI

InChI=1S/C26H28N4O2S/c1-32-21-9-7-19(8-10-21)22-17-33-26(28-22)24-23(31)16-30(25(24)27)20-11-13-29(14-12-20)15-18-5-3-2-4-6-18/h2-10,17,20H,11-16,27H2,1H3/p+1