2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-[(4-methylthiazol-2-yl)methyl]-4-[4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-[(4-methyl-2-thiazolyl)methyl]-4-[4-(1-phenethyl-4-piperidin-1-iumyl)-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-[(4-methylthiazol-2-yl)methyl]-4-[4-(1-phenethylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C30H37N5O2S+2 MolecularWeight: 531.71208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CC[NH+](CC5)CCC6=CC=CC=C6

Isomeric SMILES

CC1=CSC(=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CC[NH+](CC4)C5CC[NH+](CC5)CCC6=CC=CC=C6

InChI

InChI=1S/C30H35N5O2S/c1-22-21-38-27(31-22)20-35-29(36)25-8-5-9-26(28(25)30(35)37)34-18-16-33(17-19-34)24-11-14-32(15-12-24)13-10-23-6-3-2-4-7-23/h2-9,21,24H,10-20H2,1H3/p+2