3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 3-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 3-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C25H31N4O4S+ MolecularWeight: 483.60304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=[N+]4C3=O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CNC4=CC=CC=[N+]4C3=O)C)C(C)(C)C

InChI

InChI=1S/C25H30N4O4S/c1-17-14-19(25(3,4)5)15-18(2)22(17)34(32,33)28-12-10-27(11-13-28)23(30)20-16-26-21-8-6-7-9-29(21)24(20)31/h6-9,14-16H,10-13H2,1-5H3/p+1